6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine

C11H17ClN4 — CID 106022889

IUPAC6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
SMILESCN1CCCC1CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-3-9(16)7-14-11-6-8(13)5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H3,13,14,15)
InChIKeyFUCISRMJVMRWHZ-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.82
Rot. Bonds3

About 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine

6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine (PubChem CID 106022889) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
PubChem CID106022889
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
SMILESCN1CCCC1CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-3-9(16)7-14-11-6-8(13)5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H3,13,14,15)
InChIKeyFUCISRMJVMRWHZ-UHFFFAOYSA-N
XLogP1.82
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 131214051
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
2-ethyl-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026109
2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80962152
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029091
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine (CID 106022889) is 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine is CN1CCCC1CNc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The InChIKey is FUCISRMJVMRWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16-4-2-3-9(16)7-14-11-6-8(13)5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H3,13,14,15).
What are the key properties of 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine has a molecular weight of 240.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 106022889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).