3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C14H24N4O — CID 80843015

IUPAC3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-10-5-4-6-14(19,8-10)9-16-12-7-11(2)17-13(15-3)18-12/h7,10,19H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyDMPAFDLDZHGKFO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.18
Rot. Bonds4

About 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80843015) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80843015
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-10-5-4-6-14(19,8-10)9-16-12-7-11(2)17-13(15-3)18-12/h7,10,19H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyDMPAFDLDZHGKFO-UHFFFAOYSA-N
XLogP2.18
TPSA70.07 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 ≤ 52.18
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-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80843015) is 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is DMPAFDLDZHGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-5-4-6-14(19,8-10)9-16-12-7-11(2)17-13(15-3)18-12/h7,10,19H,4-6,8-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80843015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).