2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide

C13H13N5O3 — CID 54853757

IUPAC2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O3/c1-7-10(12(19)15-2)11(17-13(14)16-7)8-5-3-4-6-9(8)18(20)21/h3-6H,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyPUIFVVDZMJYQGR-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide

2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide (PubChem CID 54853757) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide
PubChem CID54853757
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O3/c1-7-10(12(19)15-2)11(17-13(14)16-7)8-5-3-4-6-9(8)18(20)21/h3-6H,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyPUIFVVDZMJYQGR-UHFFFAOYSA-N
XLogP1.30
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-6-(2-nitrophenyl)-2-phenylpyrimidine-5-carboxylate
CID 15147510
4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid
CID 20982058
ethyl 2-methyl-4-(2-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 153385827
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
1-N-methyl-3-nitrobenzene-1,2-dicarboxamide
CID 156773626
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
CID 54851306
4-methylsulfanyl-6-(2-nitrophenyl)-1,3,5-triazin-2-amine
CID 78909338
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680
2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol
CID 174378554
N-methyl-8-nitroquinoline-2-carboxamide
CID 70694486

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide (CID 54853757) is 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide?
The InChIKey is PUIFVVDZMJYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-7-10(12(19)15-2)11(17-13(14)16-7)8-5-3-4-6-9(8)18(20)21/h3-6H,1-2H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide?
2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).