1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H20N4O — CID 80842622

IUPAC1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1nc(C)cc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-10(16-11(13-2)15-9)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyXRRHCOUPVKZNNO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842622) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80842622
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1nc(C)cc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-10(16-11(13-2)15-9)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyXRRHCOUPVKZNNO-UHFFFAOYSA-N
XLogP1.54
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842253
2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102557
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 83118042
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 80842622) is 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CNc1nc(C)cc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is XRRHCOUPVKZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-10(16-11(13-2)15-9)14-8-12(17)5-3-4-6-12/h7,17H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).