3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine

C10H12ClN5 — CID 82896417

IUPAC3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine
SMILESCn1cncc1C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C10H12ClN5/c1-16-5-14-4-8(16)9(12)7-2-6(11)3-15-10(7)13/h2-5,9H,12H2,1H3,(H2,13,15)
InChIKeyZVDCVCDOFOTTBS-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.10
Rot. Bonds2

About 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine

3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine (PubChem CID 82896417) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine
PubChem CID82896417
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine
SMILESCn1cncc1C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C10H12ClN5/c1-16-5-14-4-8(16)9(12)7-2-6(11)3-15-10(7)13/h2-5,9H,12H2,1H3,(H2,13,15)
InChIKeyZVDCVCDOFOTTBS-UHFFFAOYSA-N
XLogP1.10
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine (CID 82896417) is 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine is Cn1cncc1C(N)c1cc(Cl)cnc1N.
What is the InChIKey of 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine?
The InChIKey is ZVDCVCDOFOTTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-5-14-4-8(16)9(12)7-2-6(11)3-15-10(7)13/h2-5,9H,12H2,1H3,(H2,13,15).
What are the key properties of 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine?
3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 82896417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).