1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol

C12H18ClN3O2 — CID 133476628

IUPAC1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
SMILESCc1nc(Cl)cc(N2CCOCC2CC(C)O)n1
InChIInChI=1S/C12H18ClN3O2/c1-8(17)5-10-7-18-4-3-16(10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3
InChIKeySARQKJWRMIXUFW-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.41
Rot. Bonds3

About 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol

1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol (PubChem CID 133476628) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
PubChem CID133476628
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
SMILESCc1nc(Cl)cc(N2CCOCC2CC(C)O)n1
InChIInChI=1S/C12H18ClN3O2/c1-8(17)5-10-7-18-4-3-16(10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3
InChIKeySARQKJWRMIXUFW-UHFFFAOYSA-N
XLogP1.41
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
CID 133388459
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 121201735
1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
CID 133476027
(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 129499743
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
CID 133476040
N-[[4-(6-methoxy-2-methylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105220
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
CID 114070875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol?
The IUPAC name of 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol (CID 133476628) is 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol is Cc1nc(Cl)cc(N2CCOCC2CC(C)O)n1.
What is the InChIKey of 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol?
The InChIKey is SARQKJWRMIXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(17)5-10-7-18-4-3-16(10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3.
What are the key properties of 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol?
1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol has a molecular weight of 271.75 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol is sourced from PubChem (CID 133476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).