N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

C18H23N5O2 — CID 109253599

IUPACN-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCCCN(C)C)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-13(24)14-5-7-16(8-6-14)22-17(25)15-11-20-18(21-12-15)19-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)(H,19,20,21)
InChIKeyFIAMTKYFUIDDHV-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.30
Rot. Bonds8

About N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (PubChem CID 109253599) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
PubChem CID109253599
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCCCN(C)C)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-13(24)14-5-7-16(8-6-14)22-17(25)15-11-20-18(21-12-15)19-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)(H,19,20,21)
InChIKeyFIAMTKYFUIDDHV-UHFFFAOYSA-N
XLogP2.30
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
2-[3-(dimethylamino)propylamino]-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109253609
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (CID 109253599) is N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(NCCCN(C)C)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The InChIKey is FIAMTKYFUIDDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(24)14-5-7-16(8-6-14)22-17(25)15-11-20-18(21-12-15)19-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)(H,19,20,21).
What are the key properties of N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).