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

C14H25N7 — CID 80776311

IUPAC4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCN(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C14H25N7/c1-15-12-17-13(16-11-6-5-7-20(2)10-11)19-14(18-12)21-8-3-4-9-21/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHQMYWOTYQZPMDY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.02
Rot. Bonds4

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

4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80776311) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80776311
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCN(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C14H25N7/c1-15-12-17-13(16-11-6-5-7-20(2)10-11)19-14(18-12)21-8-3-4-9-21/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHQMYWOTYQZPMDY-UHFFFAOYSA-N
XLogP1.02
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(cyclohexylmethyl)-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 25117870
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
6-ethoxy-4-N-ethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 80798193
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80776311) is 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCCN(C)C2)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HQMYWOTYQZPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-15-12-17-13(16-11-6-5-7-20(2)10-11)19-14(18-12)21-8-3-4-9-21/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).