4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine

C10H10Cl2N4 — CID 66141277

IUPAC4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C10H10Cl2N4/c1-2-3-16-6-13-5-7(16)10-14-8(11)4-9(12)15-10/h4-6H,2-3H2,1H3
InChIKeySIDZLIRDVCAXAM-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.06
Rot. Bonds3

About 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine

4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine (PubChem CID 66141277) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine
PubChem CID66141277
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C10H10Cl2N4/c1-2-3-16-6-13-5-7(16)10-14-8(11)4-9(12)15-10/h4-6H,2-3H2,1H3
InChIKeySIDZLIRDVCAXAM-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
CID 66140877
5-bromo-4-chloro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
CID 66314171
4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
CID 66311677
5-chloro-3-(3-propylimidazol-4-yl)-1,2-oxazole
CID 80646038
6-ethyl-N-propyl-2-(3-propylimidazol-4-yl)pyrimidin-4-amine
CID 66141084
N-ethyl-6-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidin-4-amine
CID 66141086
4,6-dimethyl-5-propan-2-yl-2-(3-propylimidazol-4-yl)pyrimidine;2-[5-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)imidazol-1-yl]ethanol
CID 158520945
4-chloro-2-(3-propan-2-ylimidazol-4-yl)-6-propylpyrimidine
CID 66131897
N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472711
2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 66139700
ethane;5-methyl-1-propylimidazole
CID 143939633
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131156

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine (CID 66141277) is 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine is CCCn1cncc1-c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine?
The InChIKey is SIDZLIRDVCAXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-2-3-16-6-13-5-7(16)10-14-8(11)4-9(12)15-10/h4-6H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine?
4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine has a molecular weight of 257.12 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-propylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66141277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).