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

C14H25N5O — CID 102640144

IUPAC2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCCNc1cc(N(C)C2CCCCC2O)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-3-8-16-12-9-13(18-14(15)17-12)19(2)10-6-4-5-7-11(10)20/h9-11,20H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyCTHXYXYOQFZZLW-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.62
Rot. Bonds5

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

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640144) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640144
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCCCNc1cc(N(C)C2CCCCC2O)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-3-8-16-12-9-13(18-14(15)17-12)19(2)10-6-4-5-7-11(10)20/h9-11,20H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyCTHXYXYOQFZZLW-UHFFFAOYSA-N
XLogP1.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640144) is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CCCNc1cc(N(C)C2CCCCC2O)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is CTHXYXYOQFZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-8-16-12-9-13(18-14(15)17-12)19(2)10-6-4-5-7-11(10)20/h9-11,20H,3-8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).