6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine

C17H20IN3 — CID 66313769

IUPAC6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)ccc2C)nc(C2CC2)c1I
InChIInChI=1S/C17H20IN3/c1-4-19-17-14(18)15(12-7-8-12)20-16(21-17)13-9-10(2)5-6-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeySLDLXXGQTIOJQL-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.67
Rot. Bonds4

About 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66313769) has the molecular formula C17H20IN3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66313769
Molecular FormulaC17H20IN3
Molecular Weight393.27 g/mol
Exact Mass393.07
IUPAC Name6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)ccc2C)nc(C2CC2)c1I
InChIInChI=1S/C17H20IN3/c1-4-19-17-14(18)15(12-7-8-12)20-16(21-17)13-9-10(2)5-6-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeySLDLXXGQTIOJQL-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.67
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-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(2,5-dimethylphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203197
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771541
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
CID 82733246
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66313769) is 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2cc(C)ccc2C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is SLDLXXGQTIOJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3/c1-4-19-17-14(18)15(12-7-8-12)20-16(21-17)13-9-10(2)5-6-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 393.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66313769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).