N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide

C19H26N6O — CID 109344367

IUPACN-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1
InChIInChI=1S/C19H26N6O/c1-24(2)12-9-20-19(26)17-13-18(22-14-21-17)23-15-5-7-16(8-6-15)25-10-3-4-11-25/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,26)(H,21,22,23)
InChIKeyJWCYWRRLZDMYTC-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109344367) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109344367
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1
InChIInChI=1S/C19H26N6O/c1-24(2)12-9-20-19(26)17-13-18(22-14-21-17)23-15-5-7-16(8-6-15)25-10-3-4-11-25/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,26)(H,21,22,23)
InChIKeyJWCYWRRLZDMYTC-UHFFFAOYSA-N
XLogP2.11
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109344367) is N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ncn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is JWCYWRRLZDMYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-24(2)12-9-20-19(26)17-13-18(22-14-21-17)23-15-5-7-16(8-6-15)25-10-3-4-11-25/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,26)(H,21,22,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).