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

C15H18Cl2N4O2 — CID 119420651

IUPACN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1.Cl
InChIInChI=1S/C15H17ClN4O2.ClH/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);1H
InChIKeyHOCAYPWREGRIAV-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.52
Rot. Bonds4

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

N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119420651) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119420651
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1.Cl
InChIInChI=1S/C15H17ClN4O2.ClH/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);1H
InChIKeyHOCAYPWREGRIAV-UHFFFAOYSA-N
XLogP3.52
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.52
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
CID 119420652
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5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107606077
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
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CID 63257918
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
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CID 86857183
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
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-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119420651) is N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)c2nc(C(C)C)ncc2Cl)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is HOCAYPWREGRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2.ClH/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);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 357.24 g/mol, XLogP of 3.52, 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;hydrochloride is sourced from PubChem (CID 119420651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).