2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide

C20H20N4O — CID 72860213

IUPAC2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-2-21-20-23-13-18(14-24-20)19(25)22-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyZNTWHHNNIKXATN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.51
Rot. Bonds6

About 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 72860213) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID72860213
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-2-21-20-23-13-18(14-24-20)19(25)22-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyZNTWHHNNIKXATN-UHFFFAOYSA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide (CID 72860213) is 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZNTWHHNNIKXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-21-20-23-13-18(14-24-20)19(25)22-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72860213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).