N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

C13H15ClN4O3 — CID 2967638

IUPACN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1cc([N+](=O)[O-])ccc1Nc1nc(C)cc(C)n1.Cl
InChIInChI=1S/C13H14N4O3.ClH/c1-8-6-9(2)15-13(14-8)16-11-5-4-10(17(18)19)7-12(11)20-3;/h4-7H,1-3H3,(H,14,15,16);1H
InChIKeySXRLPTODFURJKN-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.18
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 2967638) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID2967638
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1cc([N+](=O)[O-])ccc1Nc1nc(C)cc(C)n1.Cl
InChIInChI=1S/C13H14N4O3.ClH/c1-8-6-9(2)15-13(14-8)16-11-5-4-10(17(18)19)7-12(11)20-3;/h4-7H,1-3H3,(H,14,15,16);1H
InChIKeySXRLPTODFURJKN-UHFFFAOYSA-N
XLogP3.18
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
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'}

Analyze N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3336201
4-N-(2-methoxyphenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine
CID 3541811
2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3786263
N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3824882
4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3937798
N'-(2,5-Dimethoxy-phenyl)-N-(3-dimethylamino-propyl)-5-nitro-pyrimidine-2,4,6-triamine
CID 3642542
N4-cyclohexyl-N2-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3654083
N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine
CID 4400441
N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N'-(3-methoxyphenyl)guanidine
CID 16193175
2-N-(3-methoxyphenyl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 145985675
4-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
CID 4359574

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 2967638) is N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is COc1cc([N+](=O)[O-])ccc1Nc1nc(C)cc(C)n1.Cl.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is SXRLPTODFURJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3.ClH/c1-8-6-9(2)15-13(14-8)16-11-5-4-10(17(18)19)7-12(11)20-3;/h4-7H,1-3H3,(H,14,15,16);1H.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 310.74 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2967638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).