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

C15H20ClN5O — CID 155376118

IUPAC(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C)c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H20ClN5O/c1-9-8-22-6-5-21(9)13-7-12(16)17-15(18-13)14-10(2)19-20(4)11(14)3/h7,9H,5-6,8H2,1-4H3/t9-/m1/s1
InChIKeyVRZOZHCXARNJAZ-SECBINFHSA-N
MW321.81 g/mol
LogP2.37
Rot. Bonds2

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

(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 155376118) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID155376118
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C)c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H20ClN5O/c1-9-8-22-6-5-21(9)13-7-12(16)17-15(18-13)14-10(2)19-20(4)11(14)3/h7,9H,5-6,8H2,1-4H3/t9-/m1/s1
InChIKeyVRZOZHCXARNJAZ-SECBINFHSA-N
XLogP2.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376200
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
CID 121448447
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
[4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 137418039

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 155376118) is (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1nn(C)c(C)c1-c1nc(Cl)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is VRZOZHCXARNJAZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-8-22-6-5-21(9)13-7-12(16)17-15(18-13)14-10(2)19-20(4)11(14)3/h7,9H,5-6,8H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 321.81 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 155376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).