pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine

C13H10N6 — CID 174480694

IUPACpyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine
SMILESc1cnc2cncnc2c1.c1ncc2c[nH]cc2n1
InChIInChI=1S/C7H5N3.C6H5N3/c1-2-6-7(9-3-1)4-8-5-10-6;1-5-2-8-4-9-6(5)3-7-1/h1-5H;1-4,7H
InChIKeyAODSWEQPBYRZIJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.98
Rot. Bonds

About pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine

pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine (PubChem CID 174480694) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Namepyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine
PubChem CID174480694
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Namepyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine
SMILESc1cnc2cncnc2c1.c1ncc2c[nH]cc2n1
InChIInChI=1S/C7H5N3.C6H5N3/c1-2-6-7(9-3-1)4-8-5-10-6;1-5-2-8-4-9-6(5)3-7-1/h1-5H;1-4,7H
InChIKeyAODSWEQPBYRZIJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propane;pyrido[3,2-d]pyrimidine
CID 144881600
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
CID 67067545
CID 175543320
CID 175543320
ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
CID 159253000
iridium(3+);1,5-naphthyridine
CID 175728214
pyridine;pentakis(1H-pyrrole);quinazoline
CID 161401177
6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline
CID 158662308
pyridine;quinazoline;hydrofluoride
CID 159567796
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
1,5-naphthyridine;pyridine
CID 158398713
1H-pyrazole;quinazoline
CID 157207291
pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363

Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine (CID 174480694) is pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine is c1cnc2cncnc2c1.c1ncc2c[nH]cc2n1.
What is the InChIKey of pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is AODSWEQPBYRZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3.C6H5N3/c1-2-6-7(9-3-1)4-8-5-10-6;1-5-2-8-4-9-6(5)3-7-1/h1-5H;1-4,7H.
What are the key properties of pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine?
pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 250.27 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 174480694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).