2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine

C18H24N4O2 — CID 125139356

IUPAC2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCC(Oc3ncccc3C)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-8-19-18(13)24-15-6-9-22(10-7-15)17-11-14(2)20-16(21-17)12-23-3/h4-5,8,11,15H,6-7,9-10,12H2,1-3H3
InChIKeyIDVPYOAQFRPBNO-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.68
Rot. Bonds5

About 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine

2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine (PubChem CID 125139356) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
PubChem CID125139356
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCC(Oc3ncccc3C)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-8-19-18(13)24-15-6-9-22(10-7-15)17-11-14(2)20-16(21-17)12-23-3/h4-5,8,11,15H,6-7,9-10,12H2,1-3H3
InChIKeyIDVPYOAQFRPBNO-UHFFFAOYSA-N
XLogP2.68
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 98204954
(3aS,7aS)-2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 95971172
3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 172635069
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
CID 125424003
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
2-(methoxymethyl)-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 119032937
3-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrrolidin-2-one
CID 126801191
2-[5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 166004483
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133336157

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine (CID 125139356) is 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine is COCc1nc(C)cc(N2CCC(Oc3ncccc3C)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine?
The InChIKey is IDVPYOAQFRPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-4-8-19-18(13)24-15-6-9-22(10-7-15)17-11-14(2)20-16(21-17)12-23-3/h4-5,8,11,15H,6-7,9-10,12H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine?
2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 125139356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).