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

C15H28N6 — CID 80790015

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N2CCCC2)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C15H28N6/c1-11(15(2,3)4)20(6)13-17-12(16-5)18-14(19-13)21-9-7-8-10-21/h11H,7-10H2,1-6H3,(H,16,17,18,19)
InChIKeyFCNPRANZWVJZSB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.38
Rot. Bonds4

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

4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80790015) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80790015
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N2CCCC2)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C15H28N6/c1-11(15(2,3)4)20(6)13-17-12(16-5)18-14(19-13)21-9-7-8-10-21/h11H,7-10H2,1-6H3,(H,16,17,18,19)
InChIKeyFCNPRANZWVJZSB-UHFFFAOYSA-N
XLogP2.38
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819118
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793330
2-N,4-N-dimethyl-4-N-(2-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80839498
2-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988768
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774589
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789035
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783139
2-N-methyl-4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80788697
4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80835377
4-N-butyl-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80753745

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80790015) is 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N2CCCC2)nc(N(C)C(C)C(C)(C)C)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FCNPRANZWVJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-11(15(2,3)4)20(6)13-17-12(16-5)18-14(19-13)21-9-7-8-10-21/h11H,7-10H2,1-6H3,(H,16,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80790015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).