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

C14H25ClN6 — CID 63275034

IUPAC6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C14H25ClN6/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-7-8-19(3)9-11/h11H,5-10H2,1-4H3
InChIKeyCASHNYVFVZCQBI-UHFFFAOYSA-N
MW312.85 g/mol
LogP1.76
Rot. Bonds6

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

6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 63275034) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID63275034
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C14H25ClN6/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-7-8-19(3)9-11/h11H,5-10H2,1-4H3
InChIKeyCASHNYVFVZCQBI-UHFFFAOYSA-N
XLogP1.76
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107400373
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 64596823
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80813901
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181466
6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862665
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 63275034) is 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(C)CC2CCN(C)C2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CASHNYVFVZCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6/c1-5-21(6-2)14-17-12(15)16-13(18-14)20(4)10-11-7-8-19(3)9-11/h11H,5-10H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 312.85 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63275034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).