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

C16H28N4O — CID 80940576

IUPAC4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(NC2CCC(O)CC2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-3-5-14-19-15(17-10-4-2)11-16(20-14)18-12-6-8-13(21)9-7-12/h11-13,21H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyFMOAOAOMLFRLOS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.97
Rot. Bonds7

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

4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80940576) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80940576
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(NC2CCC(O)CC2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-3-5-14-19-15(17-10-4-2)11-16(20-14)18-12-6-8-13(21)9-7-12/h11-13,21H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyFMOAOAOMLFRLOS-UHFFFAOYSA-N
XLogP2.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 80770120
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635

Frequently Asked Questions

What is the IUPAC name of 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80940576) is 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1cc(NC2CCC(O)CC2)nc(CCC)n1.
What is the InChIKey of 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is FMOAOAOMLFRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-5-14-19-15(17-10-4-2)11-16(20-14)18-12-6-8-13(21)9-7-12/h11-13,21H,3-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80940576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).