[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C20H27N5O2 — CID 124959033

IUPAC[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-13-10-17(19-21-11-14(2)23-19)24-18(22-13)16-4-3-7-25(12-16)20(26)15-5-8-27-9-6-15/h10-11,15-16H,3-9,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGKHUZQXKDLSDPS-INIZCTEOSA-N
MW369.47 g/mol
LogP2.62
Rot. Bonds3

About [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 124959033) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID124959033
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-13-10-17(19-21-11-14(2)23-19)24-18(22-13)16-4-3-7-25(12-16)20(26)15-5-8-27-9-6-15/h10-11,15-16H,3-9,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGKHUZQXKDLSDPS-INIZCTEOSA-N
XLogP2.62
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124996159
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
2-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860274
3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110099604
1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110104108
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 124959033) is [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is Cc1cc(-c2ncc(C)[nH]2)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1.
What is the InChIKey of [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is GKHUZQXKDLSDPS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-10-17(19-21-11-14(2)23-19)24-18(22-13)16-4-3-7-25(12-16)20(26)15-5-8-27-9-6-15/h10-11,15-16H,3-9,12H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 124959033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).