[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone

C23H27N5O2 — CID 86905430

IUPAC[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
SMILESCCOc1ccnc(N2CCN(C(=O)c3cccn3CCc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-2-30-21-10-12-24-23(25-21)28-17-15-27(16-18-28)22(29)20-9-6-13-26(20)14-11-19-7-4-3-5-8-19/h3-10,12-13H,2,11,14-18H2,1H3
InChIKeyBSYUTISMKFCQMI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.88
Rot. Bonds7

About [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone

[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone (PubChem CID 86905430) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
PubChem CID86905430
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
SMILESCCOc1ccnc(N2CCN(C(=O)c3cccn3CCc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-2-30-21-10-12-24-23(25-21)28-17-15-27(16-18-28)22(29)20-9-6-13-26(20)14-11-19-7-4-3-5-8-19/h3-10,12-13H,2,11,14-18H2,1H3
InChIKeyBSYUTISMKFCQMI-UHFFFAOYSA-N
XLogP2.88
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone with MolForge

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Related Compounds

(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
CID 86876337
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone
CID 86818532
2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzaldehyde
CID 87801234
(4-phenyl-1,4-diazepan-1-yl)-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876351
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
1-[2-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 139009322
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
3-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122029405
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone?
The IUPAC name of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone (CID 86905430) is [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone is CCOc1ccnc(N2CCN(C(=O)c3cccn3CCc3ccccc3)CC2)n1.
What is the InChIKey of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone?
The InChIKey is BSYUTISMKFCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-30-21-10-12-24-23(25-21)28-17-15-27(16-18-28)22(29)20-9-6-13-26(20)14-11-19-7-4-3-5-8-19/h3-10,12-13H,2,11,14-18H2,1H3.
What are the key properties of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone?
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 86905430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).