6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine

C15H16IN3 — CID 66302773

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2)nc(C2CC2)c1I
InChIInChI=1S/C15H16IN3/c1-9-3-5-11(6-4-9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyOHPMAKDBKKZHGF-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.98
Rot. Bonds3

About 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 66302773) has the molecular formula C15H16IN3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID66302773
Molecular FormulaC15H16IN3
Molecular Weight365.22 g/mol
Exact Mass365.04
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2)nc(C2CC2)c1I
InChIInChI=1S/C15H16IN3/c1-9-3-5-11(6-4-9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyOHPMAKDBKKZHGF-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.98
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

6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302167
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 113472434
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79584414
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66312008
6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66311622
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine (CID 66302773) is 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine is CNc1nc(-c2ccc(C)cc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is OHPMAKDBKKZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3/c1-9-3-5-11(6-4-9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 365.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66302773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).