[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol

C15H26N4O — CID 80957901

IUPAC[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-10(2)14-17-12(16)7-13(18-14)19-15(9-20)6-4-5-11(3)8-15/h7,10-11,20H,4-6,8-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyVPXYYJXGRJMMDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds4

About [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol

[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 80957901) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID80957901
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-10(2)14-17-12(16)7-13(18-14)19-15(9-20)6-4-5-11(3)8-15/h7,10-11,20H,4-6,8-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyVPXYYJXGRJMMDL-UHFFFAOYSA-N
XLogP2.54
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957977
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80934546
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80958535
[1-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80957385
[1-(4-amino-2-bromoanilino)-3-methylcyclohexyl]methanol
CID 62550934
2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
CID 83076666
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol
CID 62552651
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol
CID 66017649
[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80957689

Frequently Asked Questions

What is the IUPAC name of [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (CID 80957901) is [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2cc(N)nc(C(C)C)n2)C1.
What is the InChIKey of [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is VPXYYJXGRJMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)14-17-12(16)7-13(18-14)19-15(9-20)6-4-5-11(3)8-15/h7,10-11,20H,4-6,8-9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80957901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).