1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

C13H22N4O — CID 78988366

IUPAC1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1cc(NCC2(O)CCCC(C)C2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-13(18,7-9)8-15-11-6-10(2)16-12(14)17-11/h6,9,18H,3-5,7-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyVOTUUNDKDZYLEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.72
Rot. Bonds3

About 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 78988366) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID78988366
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCc1cc(NCC2(O)CCCC(C)C2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-13(18,7-9)8-15-11-6-10(2)16-12(14)17-11/h6,9,18H,3-5,7-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyVOTUUNDKDZYLEU-UHFFFAOYSA-N
XLogP1.72
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 78988366) is 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is Cc1cc(NCC2(O)CCCC(C)C2)nc(N)n1.
What is the InChIKey of 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is VOTUUNDKDZYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-3-5-13(18,7-9)8-15-11-6-10(2)16-12(14)17-11/h6,9,18H,3-5,7-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 78988366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).