(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane

C25H36Cl2N8O3 — CID 158484694

IUPAC(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane
SMILESCC.C[C@@H]1COCCN1c1cc(Cl)[nH]c(=O)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C14H18ClN5O.C9H12ClN3O2.C2H6/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2;1-6-5-15-3-2-13(6)8-4-7(10)11-9(14)12-8;1-2/h6-7,10H,4-5,8H2,1-3H3;4,6H,2-3,5H2,1H3,(H,11,12,14);1-2H3/t10-;6-;/m11./s1
InChIKeyHHYIXECHGGHDOP-PAKKOGQISA-N
MW567.52 g/mol
LogP3.74
Rot. Bonds3

About (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane

(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane (PubChem CID 158484694) has the molecular formula C25H36Cl2N8O3 and a molecular weight of 567.52 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane
PubChem CID158484694
Molecular FormulaC25H36Cl2N8O3
Molecular Weight567.52 g/mol
Exact Mass566.23
IUPAC Name(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane
SMILESCC.C[C@@H]1COCCN1c1cc(Cl)[nH]c(=O)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C14H18ClN5O.C9H12ClN3O2.C2H6/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2;1-6-5-15-3-2-13(6)8-4-7(10)11-9(14)12-8;1-2/h6-7,10H,4-5,8H2,1-3H3;4,6H,2-3,5H2,1H3,(H,11,12,14);1-2H3/t10-;6-;/m11./s1
InChIKeyHHYIXECHGGHDOP-PAKKOGQISA-N
XLogP3.74
TPSA114.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597
US9758538, Example 40
CID 124194873
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085
1-(2-ethoxyethyl)-3-ethyl-N-(5-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11596704
1-(2-ethoxyethyl)-3-ethyl-N-(3-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888559
N-[3-fluoro-4-[4-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155512402
N-[3-fluoro-4-[4-[2-morpholin-4-ylethyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155514147
N-[4-[4-[ethyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155549310
US9758538, Example 124
CID 124194394
5-fluoro-4-(1-(2-morpholinoethyl)-1H-pyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54583576
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
CID 155530983

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane?
The IUPAC name of (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane (CID 158484694) is (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane.
What is the SMILES notation for (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane?
The canonical SMILES for (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane is CC.C[C@@H]1COCCN1c1cc(Cl)[nH]c(=O)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.
What is the InChIKey of (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane?
The InChIKey is HHYIXECHGGHDOP-PAKKOGQISA-N. The full InChI is InChI=1S/C14H18ClN5O.C9H12ClN3O2.C2H6/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2;1-6-5-15-3-2-13(6)8-4-7(10)11-9(14)12-8;1-2/h6-7,10H,4-5,8H2,1-3H3;4,6H,2-3,5H2,1H3,(H,11,12,14);1-2H3/t10-;6-;/m11./s1.
What are the key properties of (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane?
(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane has a molecular weight of 567.52 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one;ethane is sourced from PubChem (CID 158484694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).