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

C15H24N4O — CID 80958761

IUPAC1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1cc(NCC2(O)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-16-12-9-13(19-14(18-12)11-5-6-11)17-10-15(20)7-3-2-4-8-15/h9,11,20H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyDZTRNABVPSCOGG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds5

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

1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80958761) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80958761
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1cc(NCC2(O)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-16-12-9-13(19-14(18-12)11-5-6-11)17-10-15(20)7-3-2-4-8-15/h9,11,20H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyDZTRNABVPSCOGG-UHFFFAOYSA-N
XLogP2.50
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842622
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80958761) is 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1cc(NCC2(O)CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is DZTRNABVPSCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-16-12-9-13(19-14(18-12)11-5-6-11)17-10-15(20)7-3-2-4-8-15/h9,11,20H,2-8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80958761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).