[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C21H27N5O2 — CID 133290790

IUPAC[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1cc(N2CCC(C(=O)N3CCOCC3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H27N5O2/c1-2-17-15-19(24-20(23-17)18-5-3-4-8-22-18)25-9-6-16(7-10-25)21(27)26-11-13-28-14-12-26/h3-5,8,15-16H,2,6-7,9-14H2,1H3
InChIKeyXGRFRAYLQDROLY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.18
Rot. Bonds4

About [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 133290790) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID133290790
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1cc(N2CCC(C(=O)N3CCOCC3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H27N5O2/c1-2-17-15-19(24-20(23-17)18-5-3-4-8-22-18)25-9-6-16(7-10-25)21(27)26-11-13-28-14-12-26/h3-5,8,15-16H,2,6-7,9-14H2,1H3
InChIKeyXGRFRAYLQDROLY-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137118
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 133290790) is [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is CCc1cc(N2CCC(C(=O)N3CCOCC3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XGRFRAYLQDROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-17-15-19(24-20(23-17)18-5-3-4-8-22-18)25-9-6-16(7-10-25)21(27)26-11-13-28-14-12-26/h3-5,8,15-16H,2,6-7,9-14H2,1H3.
What are the key properties of [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 381.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133290790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).