6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid

C21H27N3O3 — CID 67156396

IUPAC6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
SMILESCc1nc(CCCC2CCNCC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15-20(27-14-17-6-3-2-4-7-17)19(21(25)26)24-18(23-15)9-5-8-16-10-12-22-13-11-16/h2-4,6-7,16,22H,5,8-14H2,1H3,(H,25,26)
InChIKeyBJYWQHCCLOFKQZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.38
Rot. Bonds8

About 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid

6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid (PubChem CID 67156396) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
PubChem CID67156396
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
SMILESCc1nc(CCCC2CCNCC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15-20(27-14-17-6-3-2-4-7-17)19(21(25)26)24-18(23-15)9-5-8-16-10-12-22-13-11-16/h2-4,6-7,16,22H,5,8-14H2,1H3,(H,25,26)
InChIKeyBJYWQHCCLOFKQZ-UHFFFAOYSA-N
XLogP3.38
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67156195
6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 67156070
2-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67155781
2-[[5-(4-tert-butylphenyl)-2-pyridinyl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67155802
tert-butyl 2-[[1-(2,3-dihydro-1H-indol-5-yl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylate
CID 58257724
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
CID 160587805
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063
2-ethyl-5-oxo-6-phenylmethoxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylic acid
CID 69480779
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid (CID 67156396) is 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid is Cc1nc(CCCC2CCNCC2)nc(C(=O)O)c1OCc1ccccc1.
What is the InChIKey of 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid?
The InChIKey is BJYWQHCCLOFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-20(27-14-17-6-3-2-4-7-17)19(21(25)26)24-18(23-15)9-5-8-16-10-12-22-13-11-16/h2-4,6-7,16,22H,5,8-14H2,1H3,(H,25,26).
What are the key properties of 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid?
6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67156396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).