2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine

C16H18IN3 — CID 79980922

IUPAC2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C3CC3)cc2)ncc1I
InChIInChI=1S/C16H18IN3/c1-2-9-18-16-14(17)10-19-15(20-16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyKZJWHUQMUMJFQA-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine

2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 79980922) has the molecular formula C16H18IN3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
PubChem CID79980922
Molecular FormulaC16H18IN3
Molecular Weight379.25 g/mol
Exact Mass379.05
IUPAC Name2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C3CC3)cc2)ncc1I
InChIInChI=1S/C16H18IN3/c1-2-9-18-16-14(17)10-19-15(20-16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyKZJWHUQMUMJFQA-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 79980765
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980210
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
2-(7-bromo-1,3-benzodioxol-5-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 66296489

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine (CID 79980922) is 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(C3CC3)cc2)ncc1I.
What is the InChIKey of 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is KZJWHUQMUMJFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3/c1-2-9-18-16-14(17)10-19-15(20-16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine?
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 379.25 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79980922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).