[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol

C16H28N4O — CID 80803951

IUPAC[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncnc(NC2(CO)CCCC(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)13-14(17-4)18-10-19-15(13)20-16(9-21)7-5-6-12(3)8-16/h10-12,21H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyRKWAAFIHRYULMN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.99
Rot. Bonds5

About [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol

[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 80803951) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID80803951
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncnc(NC2(CO)CCCC(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)13-14(17-4)18-10-19-15(13)20-16(9-21)7-5-6-12(3)8-16/h10-12,21H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyRKWAAFIHRYULMN-UHFFFAOYSA-N
XLogP2.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol (CID 80803951) is [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1ncnc(NC2(CO)CCCC(C)C2)c1C(C)C.
What is the InChIKey of [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is RKWAAFIHRYULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)13-14(17-4)18-10-19-15(13)20-16(9-21)7-5-6-12(3)8-16/h10-12,21H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol?
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80803951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).