5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide

C14H14ClIN4O — CID 107606077

IUPAC5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C14H14ClIN4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(16)5-9(11)15/h3-7H,17H2,1-2H3,(H,19,21)
InChIKeyIKXRTWMBXUOWKI-UHFFFAOYSA-N
MW416.65 g/mol
LogP3.69
Rot. Bonds3

About 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 107606077) has the molecular formula C14H14ClIN4O and a molecular weight of 416.65 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID107606077
Molecular FormulaC14H14ClIN4O
Molecular Weight416.65 g/mol
Exact Mass415.99
IUPAC Name5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C14H14ClIN4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(16)5-9(11)15/h3-7H,17H2,1-2H3,(H,19,21)
InChIKeyIKXRTWMBXUOWKI-UHFFFAOYSA-N
XLogP3.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62152689
5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155005
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119420652
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
5-amino-N-(5-methyl-2-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62151652
5-amino-N-(6-methyl-2-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62153598
2-amino-5-chloro-N-(2-chloro-4-iodophenyl)pyridine-4-carboxamide
CID 107606018
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62185510
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 107606077) is 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)Nc2ccc(I)cc2Cl)n1.
What is the InChIKey of 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is IKXRTWMBXUOWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(16)5-9(11)15/h3-7H,17H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 416.65 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 107606077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).