6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine

C13H18N2 — CID 155404004

IUPAC6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine
SMILESCC1=CN2CN=CC=C2C=C1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-8-15-9-14-6-5-11(15)7-12(10)13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyXCZJXPAIOHNHRT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.10
Rot. Bonds

About 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine

6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine (PubChem CID 155404004) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine
PubChem CID155404004
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine
SMILESCC1=CN2CN=CC=C2C=C1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-8-15-9-14-6-5-11(15)7-12(10)13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyXCZJXPAIOHNHRT-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine (CID 155404004) is 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine is CC1=CN2CN=CC=C2C=C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine?
The InChIKey is XCZJXPAIOHNHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-8-15-9-14-6-5-11(15)7-12(10)13(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine?
6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine has a molecular weight of 202.30 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-methyl-1H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 155404004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).