4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine

C14H18ClN5O — CID 139406180

IUPAC4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(N2CCOCC2C)nc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2/h6-7,10H,4-5,8H2,1-3H3
InChIKeyHVOCJUDBXZGHFX-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.06
Rot. Bonds2

About 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine

4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 139406180) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID139406180
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(N2CCOCC2C)nc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2/h6-7,10H,4-5,8H2,1-3H3
InChIKeyHVOCJUDBXZGHFX-UHFFFAOYSA-N
XLogP2.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928001
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 139406180) is 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1cnn(C)c1-c1cc(N2CCOCC2C)nc(Cl)n1.
What is the InChIKey of 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is HVOCJUDBXZGHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine?
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 307.79 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 139406180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).