2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C19H18N6O — CID 665314

IUPAC2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H18N6O/c1-13-22-16-14-5-2-3-6-15(14)26-17(16)18(23-13)24-9-11-25(12-10-24)19-20-7-4-8-21-19/h2-8H,9-12H2,1H3
InChIKeyLDKQBAHOVUEENH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 665314) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID665314
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H18N6O/c1-13-22-16-14-5-2-3-6-15(14)26-17(16)18(23-13)24-9-11-25(12-10-24)19-20-7-4-8-21-19/h2-8H,9-12H2,1H3
InChIKeyLDKQBAHOVUEENH-UHFFFAOYSA-N
XLogP2.80
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol
CID 9884685
YM-201636
CID 9956222
Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
PI-103 (Hydrochloride)
CID 16739368
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
4,4-dimethyl-8-N-propan-2-yl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642660
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 665314) is 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LDKQBAHOVUEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-22-16-14-5-2-3-6-15(14)26-17(16)18(23-13)24-9-11-25(12-10-24)19-20-7-4-8-21-19/h2-8H,9-12H2,1H3.
What are the key properties of 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 665314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).