2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

C23H34N6O — CID 133294894

IUPAC2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCCc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H34N6O/c1-4-19-15-22(26-23(25-19)21-7-5-6-8-24-21)28-11-9-27(10-12-28)16-20-17-29(18(2)3)13-14-30-20/h5-8,15,18,20H,4,9-14,16-17H2,1-3H3
InChIKeyKXXVMDHAMPJULB-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.33
Rot. Bonds6

About 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 133294894) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID133294894
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCCc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H34N6O/c1-4-19-15-22(26-23(25-19)21-7-5-6-8-24-21)28-11-9-27(10-12-28)16-20-17-29(18(2)3)13-14-30-20/h5-8,15,18,20H,4,9-14,16-17H2,1-3H3
InChIKeyKXXVMDHAMPJULB-UHFFFAOYSA-N
XLogP2.33
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133470340
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
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
2-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 136528489
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952
2-[[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133329495

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 133294894) is 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is CCc1cc(N2CCN(CC3CN(C(C)C)CCO3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is KXXVMDHAMPJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-4-19-15-22(26-23(25-19)21-7-5-6-8-24-21)28-11-9-27(10-12-28)16-20-17-29(18(2)3)13-14-30-20/h5-8,15,18,20H,4,9-14,16-17H2,1-3H3.
What are the key properties of 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 410.57 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 133294894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).