N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide

C17H21N3O3 — CID 77094958

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C17H21N3O3/c1-4-5-15-14(10-18-11-20-15)17(21)19-9-12-6-7-13(22-2)8-16(12)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyGWHRIXJHPLLPTQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.38
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77094958) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID77094958
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C17H21N3O3/c1-4-5-15-14(10-18-11-20-15)17(21)19-9-12-6-7-13(22-2)8-16(12)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyGWHRIXJHPLLPTQ-UHFFFAOYSA-N
XLogP2.38
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 122569344
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 74244249

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide (CID 77094958) is N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is GWHRIXJHPLLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-5-15-14(10-18-11-20-15)17(21)19-9-12-6-7-13(22-2)8-16(12)23-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).