2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C14H27N7 — CID 80835728

IUPAC2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-8-7-9-19(11)3/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyWPHVFZJEAKQAJM-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.83
Rot. Bonds6

About 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80835728) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80835728
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-8-7-9-19(11)3/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyWPHVFZJEAKQAJM-UHFFFAOYSA-N
XLogP0.83
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835031
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80835728) is 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WPHVFZJEAKQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-8-7-9-19(11)3/h11H,5-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 293.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80835728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).