4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

C23H26N4O — CID 133464903

IUPAC4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCOc1cccc(CC2CCN(c3cc(C)nc(-c4cccnc4)n3)CC2)c1
InChIInChI=1S/C23H26N4O/c1-17-13-22(26-23(25-17)20-6-4-10-24-16-20)27-11-8-18(9-12-27)14-19-5-3-7-21(15-19)28-2/h3-7,10,13,15-16,18H,8-9,11-12,14H2,1-2H3
InChIKeyZVWAHYVCBHFYAH-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.31
Rot. Bonds5

About 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (PubChem CID 133464903) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
PubChem CID133464903
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCOc1cccc(CC2CCN(c3cc(C)nc(-c4cccnc4)n3)CC2)c1
InChIInChI=1S/C23H26N4O/c1-17-13-22(26-23(25-17)20-6-4-10-24-16-20)27-11-8-18(9-12-27)14-19-5-3-7-21(15-19)28-2/h3-7,10,13,15-16,18H,8-9,11-12,14H2,1-2H3
InChIKeyZVWAHYVCBHFYAH-UHFFFAOYSA-N
XLogP4.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 50960350
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133344382
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (CID 133464903) is 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is COc1cccc(CC2CCN(c3cc(C)nc(-c4cccnc4)n3)CC2)c1.
What is the InChIKey of 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The InChIKey is ZVWAHYVCBHFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-13-22(26-23(25-17)20-6-4-10-24-16-20)27-11-8-18(9-12-27)14-19-5-3-7-21(15-19)28-2/h3-7,10,13,15-16,18H,8-9,11-12,14H2,1-2H3.
What are the key properties of 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine has a molecular weight of 374.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133464903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).