6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine

C9H12ClN3 — CID 104918835

IUPAC6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCC2CC2)c1
InChIInChI=1S/C9H12ClN3/c10-8-3-7(11)4-9(13-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,11,12,13)
InChIKeyFDHFIGQVQAFMRC-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.14
Rot. Bonds3

About 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine

6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine (PubChem CID 104918835) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
PubChem CID104918835
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCC2CC2)c1
InChIInChI=1S/C9H12ClN3/c10-8-3-7(11)4-9(13-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,11,12,13)
InChIKeyFDHFIGQVQAFMRC-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
CID 104924180
N-[[4-(aminomethyl)cyclohexyl]methyl]-6-chloropyrazin-2-amine
CID 114231610
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
CID 94674680
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
CID 104924053
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine (CID 104918835) is 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine is Nc1cc(Cl)nc(NCC2CC2)c1.
What is the InChIKey of 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine?
The InChIKey is FDHFIGQVQAFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-3-7(11)4-9(13-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,11,12,13).
What are the key properties of 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine?
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine has a molecular weight of 197.67 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 104918835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).