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

C16H28N4O — CID 80827319

IUPAC3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-4-8-17-15-19-13(3)9-14(20-15)18-11-16(21)7-5-6-12(2)10-16/h9,12,21H,4-8,10-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyMNGWPCLAHQSRIC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.96
Rot. Bonds6

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

3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80827319) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80827319
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-4-8-17-15-19-13(3)9-14(20-15)18-11-16(21)7-5-6-12(2)10-16/h9,12,21H,4-8,10-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyMNGWPCLAHQSRIC-UHFFFAOYSA-N
XLogP2.96
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.96
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-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80827319) is 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCCNc1nc(C)cc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MNGWPCLAHQSRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-17-15-19-13(3)9-14(20-15)18-11-16(21)7-5-6-12(2)10-16/h9,12,21H,4-8,10-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.96, 6 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-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80827319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).