N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide

C17H23N5O — CID 109301923

IUPACN-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-21(2)13-7-11-18-16(23)15-10-12-19-17(20-15)22(3)14-8-5-4-6-9-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,18,23)
InChIKeyOMPJKSDRJBHLGT-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.93
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109301923) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109301923
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-21(2)13-7-11-18-16(23)15-10-12-19-17(20-15)22(3)14-8-5-4-6-9-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,18,23)
InChIKeyOMPJKSDRJBHLGT-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.93
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-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109303485
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
ethyl 2-[[4-[3-(dimethylamino)propylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109302013
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109301923) is N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is OMPJKSDRJBHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(2)13-7-11-18-16(23)15-10-12-19-17(20-15)22(3)14-8-5-4-6-9-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).