[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol

C15H26N4O — CID 80957385

IUPAC[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2(CO)CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-11(2)14-17-12(16-3)9-13(18-14)19-15(10-20)7-5-4-6-8-15/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPZHIBRHERFRPAE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.75
Rot. Bonds5

About [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol

[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 80957385) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID80957385
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2(CO)CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-11(2)14-17-12(16-3)9-13(18-14)19-15(10-20)7-5-4-6-8-15/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyPZHIBRHERFRPAE-UHFFFAOYSA-N
XLogP2.75
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301181
[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80957612
[1-[[6-(methylamino)-2-pyridinyl]amino]cyclopentyl]methanol
CID 80833307
[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957901
[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
CID 102757923
[1-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80982746
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80958535
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115899064
[1-[(6-amino-2-propylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80955109
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80957689

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol (CID 80957385) is [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1cc(NC2(CO)CCCCC2)nc(C(C)C)n1.
What is the InChIKey of [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is PZHIBRHERFRPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)14-17-12(16-3)9-13(18-14)19-15(10-20)7-5-4-6-8-15/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).