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

C15H17ClN4O2 — CID 119420652

IUPACN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1
InChIInChI=1S/C15H17ClN4O2/c1-8(2)14-18-7-10(16)13(20-14)15(21)19-12-6-9(22-3)4-5-11(12)17/h4-8H,17H2,1-3H3,(H,19,21)
InChIKeyAPBIDGPHHIMGMC-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.10
Rot. Bonds4

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

N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 119420652) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID119420652
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1
InChIInChI=1S/C15H17ClN4O2/c1-8(2)14-18-7-10(16)13(20-14)15(21)19-12-6-9(22-3)4-5-11(12)17/h4-8H,17H2,1-3H3,(H,19,21)
InChIKeyAPBIDGPHHIMGMC-UHFFFAOYSA-N
XLogP3.10
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107606077
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857183
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119420641
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 47466541
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 119420652) is N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is COc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is APBIDGPHHIMGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-8(2)14-18-7-10(16)13(20-14)15(21)19-12-6-9(22-3)4-5-11(12)17/h4-8H,17H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119420652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).