pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine

C21H15N9 — CID 67067545

IUPACpyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
SMILESc1cc2cncnc2cn1.c1cc2ncncc2cn1.c1cnc2cncnc2c1
InChIInChI=1S/3C7H5N3/c1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6/h3*1-5H
InChIKeyFAUGGJSQQXDQTN-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.07
Rot. Bonds

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

pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine (PubChem CID 67067545) has the molecular formula C21H15N9 and a molecular weight of 393.41 g/mol. Its IUPAC name is pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Namepyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
PubChem CID67067545
Molecular FormulaC21H15N9
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Namepyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
SMILESc1cc2cncnc2cn1.c1cc2ncncc2cn1.c1cnc2cncnc2c1
InChIInChI=1S/3C7H5N3/c1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6/h3*1-5H
InChIKeyFAUGGJSQQXDQTN-UHFFFAOYSA-N
XLogP3.07
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pteridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinazoline;quinoxaline
CID 167559744
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazino[2,3-b]pyrazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinoxaline
CID 162024202
6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline
CID 158662308
propane;pyrido[3,2-d]pyrimidine
CID 144881600
pyrido[3,2-d]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine
CID 174480694
ethane;1,7-naphthyridine;quinoline
CID 145375138
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
1,2-dihydro-1,2,4-benzotriazine;ethane;pyrido[2,3-d]pyridazine;pyrido[4,3-d]pyrimidine
CID 166455640
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
CID 159253000
isocyanic acid;1,6-naphthyridine
CID 174611151

Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine?
The IUPAC name of pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine (CID 67067545) is pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine.
What is the SMILES notation for pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine?
The canonical SMILES for pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine is c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1cnc2cncnc2c1.
What is the InChIKey of pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine?
The InChIKey is FAUGGJSQQXDQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H5N3/c1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6/h3*1-5H.
What are the key properties of pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine?
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine has a molecular weight of 393.41 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 67067545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).