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

C14H24N4O — CID 80934546

IUPAC[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCCc1nc(N)cc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-3-12-16-11(15)7-13(17-12)18-14(9-19)6-4-5-10(2)8-14/h7,10,19H,3-6,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyMZLRBKCXRKIOHN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds4

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

[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 80934546) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID80934546
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCCc1nc(N)cc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-3-12-16-11(15)7-13(17-12)18-14(9-19)6-4-5-10(2)8-14/h7,10,19H,3-6,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyMZLRBKCXRKIOHN-UHFFFAOYSA-N
XLogP1.97
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol (CID 80934546) is [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is CCc1nc(N)cc(NC2(CO)CCCC(C)C2)n1.
What is the InChIKey of [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is MZLRBKCXRKIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-16-11(15)7-13(17-12)18-14(9-19)6-4-5-10(2)8-14/h7,10,19H,3-6,8-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of [1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.97, 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-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).