N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid

C15H14N4O4S — CID 14346982

IUPACN-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4.H2O4S/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12;1-5(2,3)4/h1-11H,(H,17,18,19);(H2,1,2,3,4)
InChIKeyRTEXYZILRGJYEP-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.63
Rot. Bonds3

About N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid

N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid (PubChem CID 14346982) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid.

Molecular Properties

Compound NameN-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
PubChem CID14346982
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4.H2O4S/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12;1-5(2,3)4/h1-11H,(H,17,18,19);(H2,1,2,3,4)
InChIKeyRTEXYZILRGJYEP-UHFFFAOYSA-N
XLogP2.63
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869
N-[4-(dimethylamino)phenyl]-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 25212381
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
CID 59588134
N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
CID 154584905
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl azide
CID 175373568
N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
CID 2824458
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid?
The IUPAC name of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid (CID 14346982) is N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid.
What is the SMILES notation for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid?
The canonical SMILES for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid is O=S(=O)(O)O.c1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid?
The InChIKey is RTEXYZILRGJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4.H2O4S/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12;1-5(2,3)4/h1-11H,(H,17,18,19);(H2,1,2,3,4).
What are the key properties of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid?
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid has a molecular weight of 346.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid is sourced from PubChem (CID 14346982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).