3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine

C11H14ClN5 — CID 114046189

IUPAC3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCn1ccnc1CCNc1ncc(N)cc1Cl
InChIInChI=1S/C11H14ClN5/c1-17-5-4-14-10(17)2-3-15-11-9(12)6-8(13)7-16-11/h4-7H,2-3,13H2,1H3,(H,15,16)
InChIKeyDCNWYRMXXUJHNP-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.71
Rot. Bonds4

About 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine

3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 114046189) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID114046189
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCn1ccnc1CCNc1ncc(N)cc1Cl
InChIInChI=1S/C11H14ClN5/c1-17-5-4-14-10(17)2-3-15-11-9(12)6-8(13)7-16-11/h4-7H,2-3,13H2,1H3,(H,15,16)
InChIKeyDCNWYRMXXUJHNP-UHFFFAOYSA-N
XLogP1.71
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
methyl 5-amino-3-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzoate
CID 107195524
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine (CID 114046189) is 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine is Cn1ccnc1CCNc1ncc(N)cc1Cl.
What is the InChIKey of 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is DCNWYRMXXUJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-5-4-14-10(17)2-3-15-11-9(12)6-8(13)7-16-11/h4-7H,2-3,13H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine?
3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 251.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 114046189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).