2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

C16H20IN3 — CID 66297674

IUPAC2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)nc(C)c1I
InChIInChI=1S/C16H20IN3/c1-5-8-18-16-14(17)12(4)19-15(20-16)13-9-10(2)6-7-11(13)3/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyOBJNLGSISWPPFR-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.50
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66297674) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66297674
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)ccc2C)nc(C)c1I
InChIInChI=1S/C16H20IN3/c1-5-8-18-16-14(17)12(4)19-15(20-16)13-9-10(2)6-7-11(13)3/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyOBJNLGSISWPPFR-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.50
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-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193396
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
CID 66306718
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (CID 66297674) is 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(C)ccc2C)nc(C)c1I.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OBJNLGSISWPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-5-8-18-16-14(17)12(4)19-15(20-16)13-9-10(2)6-7-11(13)3/h6-7,9H,5,8H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).