2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 3987340

IUPAC2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCCC2)nc(OC(C)C)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-18-14(17-12-8-6-5-7-9-12)20-15(19-13)21-11(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyDDWOXVPYQDZTMI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.23
Rot. Bonds7

About 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 3987340) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID3987340
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCCC2)nc(OC(C)C)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-18-14(17-12-8-6-5-7-9-12)20-15(19-13)21-11(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyDDWOXVPYQDZTMI-UHFFFAOYSA-N
XLogP3.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 3987340) is 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC2CCCCC2)nc(OC(C)C)n1.
What is the InChIKey of 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DDWOXVPYQDZTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-10-16-13-18-14(17-12-8-6-5-7-9-12)20-15(19-13)21-11(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3987340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).