2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide

C17H21N3O3 — CID 50982044

IUPAC2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
SMILESCCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(OC)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-20(12-13-5-7-15(22-2)8-6-13)16(21)14-10-18-17(23-3)19-11-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyYNECYTVNYSWQAO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.55
Rot. Bonds7

About 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide

2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide (PubChem CID 50982044) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
PubChem CID50982044
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
SMILESCCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(OC)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-20(12-13-5-7-15(22-2)8-6-13)16(21)14-10-18-17(23-3)19-11-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyYNECYTVNYSWQAO-UHFFFAOYSA-N
XLogP2.55
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
CID 113163098
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N,N-dibutyl-4-methoxybenzamide
CID 2163395
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide (CID 50982044) is 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide is CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(OC)nc1.
What is the InChIKey of 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide?
The InChIKey is YNECYTVNYSWQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-9-20(12-13-5-7-15(22-2)8-6-13)16(21)14-10-18-17(23-3)19-11-14/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide?
2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 50982044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).