N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide

C16H18N4O2 — CID 51094915

IUPACN-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14(21)8-9-17-16(22)13-10-18-15(19-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,22)
InChIKeyRHEYAUQTDRVHBO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.35
Rot. Bonds5

About N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 51094915) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID51094915
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14(21)8-9-17-16(22)13-10-18-15(19-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,22)
InChIKeyRHEYAUQTDRVHBO-UHFFFAOYSA-N
XLogP1.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide (CID 51094915) is N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide is CN(C)C(=O)CCNC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is RHEYAUQTDRVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)14(21)8-9-17-16(22)13-10-18-15(19-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 51094915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).