N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide

C17H23N5O2 — CID 109252791

IUPACN-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(Nc2ncc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H23N5O2/c1-4-24-15-7-5-14(6-8-15)21-17-19-11-13(12-20-17)16(23)18-9-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyCQIFRKXNFIOVSW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109252791) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109252791
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(Nc2ncc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H23N5O2/c1-4-24-15-7-5-14(6-8-15)21-17-19-11-13(12-20-17)16(23)18-9-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyCQIFRKXNFIOVSW-UHFFFAOYSA-N
XLogP1.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253477
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide (CID 109252791) is N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccc(Nc2ncc(C(=O)NCCN(C)C)cn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is CQIFRKXNFIOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-24-15-7-5-14(6-8-15)21-17-19-11-13(12-20-17)16(23)18-9-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).