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

C15H26N4O — CID 80843417

IUPAC1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-16-14-18-12(3)8-13(19-14)17-10-15(20)7-5-6-11(2)9-15/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQMOPMEANVFVCNY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds5

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

1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 80843417) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID80843417
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-16-14-18-12(3)8-13(19-14)17-10-15(20)7-5-6-11(2)9-15/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQMOPMEANVFVCNY-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol (CID 80843417) is 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol is CCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QMOPMEANVFVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-16-14-18-12(3)8-13(19-14)17-10-15(20)7-5-6-11(2)9-15/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 80843417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).