4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C15H26N6O — CID 672863

IUPAC4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H26N6O/c1-11(2)16-13-18-14(17-12-5-3-4-6-12)20-15(19-13)21-7-9-22-10-8-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySSWUBMCXPVQUMR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds5

About 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 672863) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID672863
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H26N6O/c1-11(2)16-13-18-14(17-12-5-3-4-6-12)20-15(19-13)21-7-9-22-10-8-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySSWUBMCXPVQUMR-UHFFFAOYSA-N
XLogP1.88
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 672863) is 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NC2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SSWUBMCXPVQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-11(2)16-13-18-14(17-12-5-3-4-6-12)20-15(19-13)21-7-9-22-10-8-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 672863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).