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

C9H15ClN6 — CID 80790390

IUPAC6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(CNc2nc(N)nc(Cl)n2)C1
InChIInChI=1S/C9H15ClN6/c1-16-3-2-6(5-16)4-12-9-14-7(10)13-8(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyXJNMIFILCRXDTJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.47
Rot. Bonds3

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

6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80790390) has the molecular formula C9H15ClN6 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80790390
Molecular FormulaC9H15ClN6
Molecular Weight242.71 g/mol
Exact Mass242.10
IUPAC Name6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(CNc2nc(N)nc(Cl)n2)C1
InChIInChI=1S/C9H15ClN6/c1-16-3-2-6(5-16)4-12-9-14-7(10)13-8(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyXJNMIFILCRXDTJ-UHFFFAOYSA-N
XLogP0.47
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
4-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80899693
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 55124369
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80791244
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80837875
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 25178760
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862665

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80790390) is 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CN1CCC(CNc2nc(N)nc(Cl)n2)C1.
What is the InChIKey of 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XJNMIFILCRXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6/c1-16-3-2-6(5-16)4-12-9-14-7(10)13-8(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 242.71 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80790390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).