1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol

C19H27N5O — CID 133294882

IUPAC1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
SMILESCCc1cc(N2CCN(CC(C)O)C(C)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H27N5O/c1-4-17-11-18(22-19(21-17)16-5-7-20-8-6-16)24-10-9-23(13-15(3)25)14(2)12-24/h5-8,11,14-15,25H,4,9-10,12-13H2,1-3H3
InChIKeyKCUURAFSQUQCFN-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.99
Rot. Bonds5

About 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol

1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 133294882) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID133294882
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
SMILESCCc1cc(N2CCN(CC(C)O)C(C)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H27N5O/c1-4-17-11-18(22-19(21-17)16-5-7-20-8-6-16)24-10-9-23(13-15(3)25)14(2)12-24/h5-8,11,14-15,25H,4,9-10,12-13H2,1-3H3
InChIKeyKCUURAFSQUQCFN-UHFFFAOYSA-N
XLogP1.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 119039238
(2S)-2-(5-chlorothiophen-2-yl)-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 100630788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol (CID 133294882) is 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol is CCc1cc(N2CCN(CC(C)O)C(C)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is KCUURAFSQUQCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-17-11-18(22-19(21-17)16-5-7-20-8-6-16)24-10-9-23(13-15(3)25)14(2)12-24/h5-8,11,14-15,25H,4,9-10,12-13H2,1-3H3.
What are the key properties of 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 341.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133294882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).