6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine

C9H14ClN5 — CID 130568349

IUPAC6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(Nc2nc(N)nc(CCCl)n2)CC1
InChIInChI=1S/C9H14ClN5/c1-9(3-4-9)15-8-13-6(2-5-10)12-7(11)14-8/h2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyJWSGADZSBFHEEC-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.20
Rot. Bonds4

About 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine

6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130568349) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
PubChem CID130568349
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(Nc2nc(N)nc(CCCl)n2)CC1
InChIInChI=1S/C9H14ClN5/c1-9(3-4-9)15-8-13-6(2-5-10)12-7(11)14-8/h2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyJWSGADZSBFHEEC-UHFFFAOYSA-N
XLogP1.20
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 130568334
2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67336723
1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 112746292
6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746281
2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
CID 139724195
3,5-dichloro-6-N-(1-methylcyclopropyl)pyridine-2,6-diamine
CID 102759897
2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532744
6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
CID 107548077
3-[4-[(1-methylcyclopropyl)amino]-6-[(3S)-4,4,4-trifluoro-3-methylbutyl]-1,3,5-triazin-2-yl]cyclohexa-1,2-dien-1-ol
CID 176542700
2-ethyl-6-methyl-N-(1-methylcyclopropyl)pyrimidin-4-amine
CID 130512707
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine (CID 130568349) is 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine is CC1(Nc2nc(N)nc(CCCl)n2)CC1.
What is the InChIKey of 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JWSGADZSBFHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-9(3-4-9)15-8-13-6(2-5-10)12-7(11)14-8/h2-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine?
6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130568349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).