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

C10H18N6 — CID 142876099

IUPAC4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1ncnc(NCC2CCCN2C)n1
InChIInChI=1S/C10H18N6/c1-11-9-13-7-14-10(15-9)12-6-8-4-3-5-16(8)2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyIMYCQYKTKRQEDC-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.42
Rot. Bonds4

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

4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 142876099) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID142876099
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1ncnc(NCC2CCCN2C)n1
InChIInChI=1S/C10H18N6/c1-11-9-13-7-14-10(15-9)12-6-8-4-3-5-16(8)2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyIMYCQYKTKRQEDC-UHFFFAOYSA-N
XLogP0.42
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 114138405
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564704
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 142876099) is 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CNc1ncnc(NCC2CCCN2C)n1.
What is the InChIKey of 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IMYCQYKTKRQEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-11-9-13-7-14-10(15-9)12-6-8-4-3-5-16(8)2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 222.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142876099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).