2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine

C21H27N3O2 — CID 126439671

IUPAC2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
SMILESCc1nc([C@@H]2CCOC2)cc(N2CCC(OCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-16-22-20(18-9-12-25-15-18)13-21(23-16)24-10-7-19(8-11-24)26-14-17-5-3-2-4-6-17/h2-6,13,18-19H,7-12,14-15H2,1H3/t18-/m1/s1
InChIKeyACJOMUIKMIHXSW-GOSISDBHSA-N
MW353.47 g/mol
LogP3.47
Rot. Bonds5

About 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine

2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine (PubChem CID 126439671) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
PubChem CID126439671
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
SMILESCc1nc([C@@H]2CCOC2)cc(N2CCC(OCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-16-22-20(18-9-12-25-15-18)13-21(23-16)24-10-7-19(8-11-24)26-14-17-5-3-2-4-6-17/h2-6,13,18-19H,7-12,14-15H2,1H3/t18-/m1/s1
InChIKeyACJOMUIKMIHXSW-GOSISDBHSA-N
XLogP3.47
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91787750
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
N-(2-benzylsulfanylethyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126430241
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
CID 72915583
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine (CID 126439671) is 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine is Cc1nc([C@@H]2CCOC2)cc(N2CCC(OCc3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The InChIKey is ACJOMUIKMIHXSW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-22-20(18-9-12-25-15-18)13-21(23-16)24-10-7-19(8-11-24)26-14-17-5-3-2-4-6-17/h2-6,13,18-19H,7-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine has a molecular weight of 353.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 126439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).