2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide

C18H25N5O — CID 109301765

IUPAC2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCCN(C)C)n1)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-4-23(15-9-6-5-7-10-15)17(24)16-11-13-20-18(21-16)19-12-8-14-22(2)3/h5-7,9-11,13H,4,8,12,14H2,1-3H3,(H,19,20,21)
InChIKeyCPDOTZNSEBTCCF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.51
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide

2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109301765) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109301765
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCCN(C)C)n1)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-4-23(15-9-6-5-7-10-15)17(24)16-11-13-20-18(21-16)19-12-8-14-22(2)3/h5-7,9-11,13H,4,8,12,14H2,1-3H3,(H,19,20,21)
InChIKeyCPDOTZNSEBTCCF-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109208050
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109299782
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109301765) is 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(NCCCN(C)C)n1)c1ccccc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is CPDOTZNSEBTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-23(15-9-6-5-7-10-15)17(24)16-11-13-20-18(21-16)19-12-8-14-22(2)3/h5-7,9-11,13H,4,8,12,14H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide?
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109301765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).