[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol

C12H19N3O2 — CID 83184886

IUPAC[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C2CCOCC2)ncc1CO
InChIInChI=1S/C12H19N3O2/c1-9-10(8-16)7-13-12(14-9)15(2)11-3-5-17-6-4-11/h7,11,16H,3-6,8H2,1-2H3
InChIKeyNSMHWMMCQXIUQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds3

About [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol

[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol (PubChem CID 83184886) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
PubChem CID83184886
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
SMILESCc1nc(N(C)C2CCOCC2)ncc1CO
InChIInChI=1S/C12H19N3O2/c1-9-10(8-16)7-13-12(14-9)15(2)11-3-5-17-6-4-11/h7,11,16H,3-6,8H2,1-2H3
InChIKeyNSMHWMMCQXIUQX-UHFFFAOYSA-N
XLogP0.89
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]pyrimidin-5-yl]methanol
CID 83184634
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183846
N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83189633
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83184371
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol (CID 83184886) is [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol is Cc1nc(N(C)C2CCOCC2)ncc1CO.
What is the InChIKey of [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol?
The InChIKey is NSMHWMMCQXIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-10(8-16)7-13-12(14-9)15(2)11-3-5-17-6-4-11/h7,11,16H,3-6,8H2,1-2H3.
What are the key properties of [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol?
[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).