[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid

C15H16N4O2 — CID 91351517

IUPAC[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid
SMILESCC(C)c1nc(C(N)=NC(=O)O)cc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O2/c1-9(2)14-17-11(10-6-4-3-5-7-10)8-12(18-14)13(16)19-15(20)21/h3-9H,1-2H3,(H2,16,19)(H,20,21)
InChIKeySJNQXYRKLCFNNX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.65
Rot. Bonds3

About [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid

[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid (PubChem CID 91351517) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid.

Molecular Properties

Compound Name[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid
PubChem CID91351517
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid
SMILESCC(C)c1nc(C(N)=NC(=O)O)cc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O2/c1-9(2)14-17-11(10-6-4-3-5-7-10)8-12(18-14)13(16)19-15(20)21/h3-9H,1-2H3,(H2,16,19)(H,20,21)
InChIKeySJNQXYRKLCFNNX-UHFFFAOYSA-N
XLogP2.65
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid 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

2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide
CID 58872695
2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562150
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15604467
6-phenylpyrimidine-4-carboxamide
CID 12582963
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
2-[bis(3-methylbutyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15603891
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
N,N,2-trimethyl-6-phenylpyrimidine-4-carboxamide
CID 12562155
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562149

Frequently Asked Questions

What is the IUPAC name of [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid?
The IUPAC name of [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid (CID 91351517) is [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid.
What is the SMILES notation for [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid?
The canonical SMILES for [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid is CC(C)c1nc(C(N)=NC(=O)O)cc(-c2ccccc2)n1.
What is the InChIKey of [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid?
The InChIKey is SJNQXYRKLCFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)14-17-11(10-6-4-3-5-7-10)8-12(18-14)13(16)19-15(20)21/h3-9H,1-2H3,(H2,16,19)(H,20,21).
What are the key properties of [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid?
[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid has a molecular weight of 284.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid is sourced from PubChem (CID 91351517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).