6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine

C15H16IN3O2 — CID 66312591

IUPAC6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCOc1ccc(OC)c(-c2nc(N)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H16IN3O2/c1-20-9-5-6-11(21-2)10(7-9)15-18-13(8-3-4-8)12(16)14(17)19-15/h5-8H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyIYVHMWPZSAVQEK-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.22
Rot. Bonds4

About 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66312591) has the molecular formula C15H16IN3O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine
PubChem CID66312591
Molecular FormulaC15H16IN3O2
Molecular Weight397.22 g/mol
Exact Mass397.03
IUPAC Name6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCOc1ccc(OC)c(-c2nc(N)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H16IN3O2/c1-20-9-5-6-11(21-2)10(7-9)15-18-13(8-3-4-8)12(16)14(17)19-15/h5-8H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyIYVHMWPZSAVQEK-UHFFFAOYSA-N
XLogP3.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
CID 79970668
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417
2-(2,5-dimethoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913464
6-cyclopropyl-5-iodo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66312982
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 79584322
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
6-cyclopropyl-5-iodo-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66311425
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine (CID 66312591) is 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine is COc1ccc(OC)c(-c2nc(N)c(I)c(C3CC3)n2)c1.
What is the InChIKey of 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is IYVHMWPZSAVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O2/c1-20-9-5-6-11(21-2)10(7-9)15-18-13(8-3-4-8)12(16)14(17)19-15/h5-8H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 397.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66312591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).