2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine

C12H15N3 — CID 177123763

IUPAC2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)ncc2cn1
InChIInChI=1S/C12H15N3/c1-8-5-10-9(6-13-8)7-14-11(15-10)12(2,3)4/h5-7H,1-4H3
InChIKeyMWDHBPHNIGUZBD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.63
Rot. Bonds

About 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine

2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine (PubChem CID 177123763) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine
PubChem CID177123763
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)ncc2cn1
InChIInChI=1S/C12H15N3/c1-8-5-10-9(6-13-8)7-14-11(15-10)12(2,3)4/h5-7H,1-4H3
InChIKeyMWDHBPHNIGUZBD-UHFFFAOYSA-N
XLogP2.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59743754
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2,9-dimethyl-3,8-phenanthroline
CID 132510988
5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
CID 58550032
1-(2-tert-butyl-4-methylpyrimidin-5-yl)ethanone
CID 62771539
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5-tert-butyl-2-methylpyridin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine (CID 177123763) is 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine is Cc1cc2nc(C(C)(C)C)ncc2cn1.
What is the InChIKey of 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine?
The InChIKey is MWDHBPHNIGUZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-5-10-9(6-13-8)7-14-11(15-10)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine?
2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine has a molecular weight of 201.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 177123763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).