N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide

C15H17N3O2 — CID 122262240

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc(-c2ccc(OC)cc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-3-15(19)16-9-12-8-14(18-10-17-12)11-4-6-13(20-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,16,19)
InChIKeyRHIYOWUGZIBQLO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds5

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide (PubChem CID 122262240) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
PubChem CID122262240
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc(-c2ccc(OC)cc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-3-15(19)16-9-12-8-14(18-10-17-12)11-4-6-13(20-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,16,19)
InChIKeyRHIYOWUGZIBQLO-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122262505
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 122262494
2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262271
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide (CID 122262240) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide is CCC(=O)NCc1cc(-c2ccc(OC)cc2)ncn1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide?
The InChIKey is RHIYOWUGZIBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-15(19)16-9-12-8-14(18-10-17-12)11-4-6-13(20-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide is sourced from PubChem (CID 122262240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).