(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone

C19H15N5O2 — CID 146069218

IUPAC(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12
InChIInChI=1S/C19H15N5O2/c25-18(15-9-20-6-7-21-15)24-11-19(12-24)14-8-22-17(23-16(14)10-26-19)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZENPPPYEEHUMCA-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.82
Rot. Bonds2

About (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone

(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone (PubChem CID 146069218) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone
PubChem CID146069218
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12
InChIInChI=1S/C19H15N5O2/c25-18(15-9-20-6-7-21-15)24-11-19(12-24)14-8-22-17(23-16(14)10-26-19)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZENPPPYEEHUMCA-UHFFFAOYSA-N
XLogP1.82
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
CID 146069383
2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069229
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 146069133
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
CID 146069308
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
CID 92573057

Frequently Asked Questions

What is the IUPAC name of (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone (CID 146069218) is (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12.
What is the InChIKey of (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone?
The InChIKey is ZENPPPYEEHUMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(15-9-20-6-7-21-15)24-11-19(12-24)14-8-22-17(23-16(14)10-26-19)13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone?
(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone has a molecular weight of 345.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 146069218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).