6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C16H14ClN5O — CID 24912826

IUPAC6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)o1
InChIInChI=1S/C16H14ClN5O/c17-15-2-1-13(23-15)9-22-4-3-14-12(8-22)7-20-16(21-14)11-5-18-10-19-6-11/h1-2,5-7,10H,3-4,8-9H2
InChIKeyNRMBORXOMVEFMU-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.74
Rot. Bonds3

About 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912826) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912826
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)o1
InChIInChI=1S/C16H14ClN5O/c17-15-2-1-13(23-15)9-22-4-3-14-12(8-22)7-20-16(21-14)11-5-18-10-19-6-11/h1-2,5-7,10H,3-4,8-9H2
InChIKeyNRMBORXOMVEFMU-UHFFFAOYSA-N
XLogP2.74
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910915
2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916018
6-[[5-(3-nitrophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909298
2-chloro-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929125
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910108
6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910594
3-chloro-4-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929188
[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908641
2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910899
6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911944
2-[[5-[(2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl]isoindole-1,3-dione
CID 24912275

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912826) is 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)o1.
What is the InChIKey of 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NRMBORXOMVEFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-15-2-1-13(23-15)9-22-4-3-14-12(8-22)7-20-16(21-14)11-5-18-10-19-6-11/h1-2,5-7,10H,3-4,8-9H2.
What are the key properties of 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).