2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C17H24N6 — CID 2201391

IUPAC2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6/c1-3-10-18-15-20-16(19-14-8-6-13(2)7-9-14)22-17(21-15)23-11-4-5-12-23/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyWQACISGTMYRSJV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.35
Rot. Bonds6

About 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 2201391) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID2201391
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6/c1-3-10-18-15-20-16(19-14-8-6-13(2)7-9-14)22-17(21-15)23-11-4-5-12-23/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyWQACISGTMYRSJV-UHFFFAOYSA-N
XLogP3.35
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 2201391) is 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccc(C)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WQACISGTMYRSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-3-10-18-15-20-16(19-14-8-6-13(2)7-9-14)22-17(21-15)23-11-4-5-12-23/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2201391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).