6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid

C25H27N3O3 — CID 67156070

IUPAC6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1nc(CC2CCN(c3ccccc3)CC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18-24(31-17-20-8-4-2-5-9-20)23(25(29)30)27-22(26-18)16-19-12-14-28(15-13-19)21-10-6-3-7-11-21/h2-11,19H,12-17H2,1H3,(H,29,30)
InChIKeyZUGAFTJNTNWTMG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.52
Rot. Bonds7

About 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid

6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid (PubChem CID 67156070) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid
PubChem CID67156070
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1nc(CC2CCN(c3ccccc3)CC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18-24(31-17-20-8-4-2-5-9-20)23(25(29)30)27-22(26-18)16-19-12-14-28(15-13-19)21-10-6-3-7-11-21/h2-11,19H,12-17H2,1H3,(H,29,30)
InChIKeyZUGAFTJNTNWTMG-UHFFFAOYSA-N
XLogP4.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67155781
ethyl 2-deuterio-2-[[2-[[1-[4-(4-formylphenyl)phenyl]piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carbonyl]amino]acetate
CID 123647219
tert-butyl 2-[[1-(2,3-dihydro-1H-indol-5-yl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylate
CID 58257724
6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
CID 67156396
6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67156195
2-[[2-[[1-(1-benzothiophen-5-yl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carbonyl]amino]butanoic acid
CID 67156063
ethyl 2-[[2-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-6-methylsulfanyl-5-phenylmethoxypyrimidine-4-carbonyl]amino]acetate
CID 123431841
2-[[5-hydroxy-6-methyl-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carbonyl]amino]butanoic acid
CID 67155872
2-[[2-[[1-(1-formyl-4-phenylcyclohexa-2,4-dien-1-yl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carbonyl]amino]acetic acid
CID 88867683
[4-carbamoyl-2-[[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]methyl]-6-methylpyrimidin-5-yl] acetate
CID 123175393
[2-[[1-(4-benzyl-2-bromophenyl)piperidin-4-yl]methyl]-4-carbamoyl-6-methylpyrimidin-5-yl] acetate
CID 123829272
tert-butyl formate;2-[[1-[4-(1,3-dioxolan-2-yl)phenyl]piperidin-4-yl]methyl]-4-methyl-5-phenylmethoxypyrimidine
CID 174613554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid (CID 67156070) is 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid is Cc1nc(CC2CCN(c3ccccc3)CC2)nc(C(=O)O)c1OCc1ccccc1.
What is the InChIKey of 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is ZUGAFTJNTNWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-24(31-17-20-8-4-2-5-9-20)23(25(29)30)27-22(26-18)16-19-12-14-28(15-13-19)21-10-6-3-7-11-21/h2-11,19H,12-17H2,1H3,(H,29,30).
What are the key properties of 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid?
6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 417.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67156070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).