6-(ethylamino)-N-phenylpyrimidine-4-carboxamide

C13H14N4O — CID 146089356

IUPAC6-(ethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C13H14N4O/c1-2-14-12-8-11(15-9-16-12)13(18)17-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXDVUHUZPGDPUPP-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds4

About 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide

6-(ethylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 146089356) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID146089356
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-(ethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C13H14N4O/c1-2-14-12-8-11(15-9-16-12)13(18)17-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXDVUHUZPGDPUPP-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide (CID 146089356) is 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide is CCNc1cc(C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is XDVUHUZPGDPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-14-12-8-11(15-9-16-12)13(18)17-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide?
6-(ethylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 146089356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).