6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine

C16H18IN3O — CID 66312008

IUPAC6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(NC)c(I)c(C2CC2)n1
InChIInChI=1S/C16H18IN3O/c1-3-21-12-7-5-4-6-11(12)15-19-14(10-8-9-10)13(17)16(18-2)20-15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyNUQVTOKRSFZYON-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.07
Rot. Bonds5

About 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine

6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66312008) has the molecular formula C16H18IN3O and a molecular weight of 395.24 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66312008
Molecular FormulaC16H18IN3O
Molecular Weight395.24 g/mol
Exact Mass395.05
IUPAC Name6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(NC)c(I)c(C2CC2)n1
InChIInChI=1S/C16H18IN3O/c1-3-21-12-7-5-4-6-11(12)15-19-14(10-8-9-10)13(17)16(18-2)20-15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyNUQVTOKRSFZYON-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 113472434
6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302167
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
CID 82733246

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66312008) is 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine is CCOc1ccccc1-c1nc(NC)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is NUQVTOKRSFZYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3O/c1-3-21-12-7-5-4-6-11(12)15-19-14(10-8-9-10)13(17)16(18-2)20-15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 395.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66312008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).