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

C16H28N4O — CID 80955979

IUPAC4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(NC2CCC(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-14-10-15(20-16(19-14)11(2)3)18-12-5-7-13(21)8-6-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyFEANULYDMHPAOF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.14
Rot. Bonds6

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

4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80955979) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80955979
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(NC2CCC(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-14-10-15(20-16(19-14)11(2)3)18-12-5-7-13(21)8-6-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyFEANULYDMHPAOF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80955979) is 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1cc(NC2CCC(O)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is FEANULYDMHPAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-17-14-10-15(20-16(19-14)11(2)3)18-12-5-7-13(21)8-6-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).