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

C14H26N6 — CID 115327658

IUPAC2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6/c1-11(2)7-3-4-8-16-13-17-12(15)18-14(19-13)20-9-5-6-10-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyCFPNMNIIAYLMSC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds7

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

2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 115327658) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID115327658
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6/c1-11(2)7-3-4-8-16-13-17-12(15)18-14(19-13)20-9-5-6-10-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyCFPNMNIIAYLMSC-UHFFFAOYSA-N
XLogP2.29
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 106138204
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 115327658) is 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CC(C)CCCCNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CFPNMNIIAYLMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-11(2)7-3-4-8-16-13-17-12(15)18-14(19-13)20-9-5-6-10-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).