2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 80769896

IUPAC2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCN(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H25N7/c1-14-11-16-12(15-7-10-19(2)3)18-13(17-11)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyBFAIRXNWJQSRLN-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.88
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80769896) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80769896
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCN(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H25N7/c1-14-11-16-12(15-7-10-19(2)3)18-13(17-11)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyBFAIRXNWJQSRLN-UHFFFAOYSA-N
XLogP0.88
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80769896) is 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NCCN(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BFAIRXNWJQSRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-14-11-16-12(15-7-10-19(2)3)18-13(17-11)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).