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

C12H20ClN5 — CID 106014974

IUPAC6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCCC2CCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-14-11-16-10(13)17-12(18-11)15-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyYMRNHBUGGPYETN-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.95
Rot. Bonds6

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

6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 106014974) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID106014974
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCCC2CCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-14-11-16-10(13)17-12(18-11)15-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyYMRNHBUGGPYETN-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
4-N-(2-cyclopentylethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80790236
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
CID 106207656
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 110192084
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
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-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 106014974) is 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCCCC2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YMRNHBUGGPYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-14-11-16-10(13)17-12(18-11)15-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).