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

C10H17ClN6 — CID 106029018

IUPAC6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2CCCN2C)n1
InChIInChI=1S/C10H17ClN6/c1-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17(7)2/h7H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyTVHZIPGANXFOBI-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.07
Rot. Bonds4

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

6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106029018) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID106029018
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2CCCN2C)n1
InChIInChI=1S/C10H17ClN6/c1-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17(7)2/h7H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyTVHZIPGANXFOBI-UHFFFAOYSA-N
XLogP1.07
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564704
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 106029018) is 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCC2CCCN2C)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is TVHZIPGANXFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6/c1-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17(7)2/h7H,3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 256.74 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106029018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).