6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H17N5O2 — CID 24928390

IUPAC6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc(CN2CCc3nc(-c4cncnc4)ncc3C2)c2c(c1)OCO2
InChIInChI=1S/C19H17N5O2/c1-2-13(18-17(3-1)25-12-26-18)9-24-5-4-16-15(10-24)8-22-19(23-16)14-6-20-11-21-7-14/h1-3,6-8,11H,4-5,9-10,12H2
InChIKeyUUVQHYKSAFTJKS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.22
Rot. Bonds3

About 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928390) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928390
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc(CN2CCc3nc(-c4cncnc4)ncc3C2)c2c(c1)OCO2
InChIInChI=1S/C19H17N5O2/c1-2-13(18-17(3-1)25-12-26-18)9-24-5-4-16-15(10-24)8-22-19(23-16)14-6-20-11-21-7-14/h1-3,6-8,11H,4-5,9-10,12H2
InChIKeyUUVQHYKSAFTJKS-UHFFFAOYSA-N
XLogP2.22
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928391
2-chloro-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929125
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915976
6-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916270
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
2-nitro-6-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929671
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
2-pyrimidin-5-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917298
6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917193
2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915850

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928390) is 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cc(CN2CCc3nc(-c4cncnc4)ncc3C2)c2c(c1)OCO2.
What is the InChIKey of 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UUVQHYKSAFTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-13(18-17(3-1)25-12-26-18)9-24-5-4-16-15(10-24)8-22-19(23-16)14-6-20-11-21-7-14/h1-3,6-8,11H,4-5,9-10,12H2.
What are the key properties of 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 347.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).