6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C9H14ClN5 — CID 80847833

IUPAC6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCC2CC2)n1
InChIInChI=1S/C9H14ClN5/c1-11-8-13-7(10)14-9(15-8)12-5-4-6-2-3-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyOFZUKWNTMDNWPJ-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.78
Rot. Bonds5

About 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80847833) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80847833
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCC2CC2)n1
InChIInChI=1S/C9H14ClN5/c1-11-8-13-7(10)14-9(15-8)12-5-4-6-2-3-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyOFZUKWNTMDNWPJ-UHFFFAOYSA-N
XLogP1.78
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
4-N-(2-cyclopentylethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80790236
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
CID 106207656
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80847833) is 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCCC2CC2)n1.
What is the InChIKey of 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OFZUKWNTMDNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-11-8-13-7(10)14-9(15-8)12-5-4-6-2-3-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).