2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

C12H11Cl2IN4 — CID 79780014

IUPAC2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ncc(Cl)cc2Cl)nc(N)c1I
InChIInChI=1S/C12H11Cl2IN4/c1-5(2)9-8(15)11(16)19-12(18-9)10-7(14)3-6(13)4-17-10/h3-5H,1-2H3,(H2,16,18,19)
InChIKeyBKBWVOVIZSQEJM-UHFFFAOYSA-N
MW409.06 g/mol
LogP4.16
Rot. Bonds2

About 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79780014) has the molecular formula C12H11Cl2IN4 and a molecular weight of 409.06 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID79780014
Molecular FormulaC12H11Cl2IN4
Molecular Weight409.06 g/mol
Exact Mass407.94
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ncc(Cl)cc2Cl)nc(N)c1I
InChIInChI=1S/C12H11Cl2IN4/c1-5(2)9-8(15)11(16)19-12(18-9)10-7(14)3-6(13)4-17-10/h3-5H,1-2H3,(H2,16,18,19)
InChIKeyBKBWVOVIZSQEJM-UHFFFAOYSA-N
XLogP4.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.06
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
(1r)-N~2~-[5-Chloro-2-(5-Chloropyridin-2-Yl)-6-Methylpyrimidin-4-Yl]-1-Phenyl-N~1~-(4-Phenylbutyl)ethane-1,2-Diamine
CID 71602590
5-chloro-N,6-dimethyl-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2740175
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 12004233
5-Chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 2740171
5-(2,4-Dichlorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
CID 3379829
4,6-Dichloro-2-(pyridin-2-yl)pyrimidine
CID 12057465
4-Chloro-6-methyl-2-(pyridin-4-yl)pyrimidine
CID 12764705
4-Chloro-2-methyl-6-(pyridin-2-yl)pyrimidine
CID 824585
5-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 1483168
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3395869
N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 23767908

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 79780014) is 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(-c2ncc(Cl)cc2Cl)nc(N)c1I.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BKBWVOVIZSQEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2IN4/c1-5(2)9-8(15)11(16)19-12(18-9)10-7(14)3-6(13)4-17-10/h3-5H,1-2H3,(H2,16,18,19).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 409.06 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79780014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).