6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine

C12H16N4 — CID 177263002

IUPAC6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(C(C)(C)C)nc2c(N)ncnc12
InChIInChI=1S/C12H16N4/c1-7-5-8(12(2,3)4)16-10-9(7)14-6-15-11(10)13/h5-6H,1-4H3,(H2,13,14,15)
InChIKeyNLEJBXNDBJJLMD-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.21
Rot. Bonds

About 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine

6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 177263002) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID177263002
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(C(C)(C)C)nc2c(N)ncnc12
InChIInChI=1S/C12H16N4/c1-7-5-8(12(2,3)4)16-10-9(7)14-6-15-11(10)13/h5-6H,1-4H3,(H2,13,14,15)
InChIKeyNLEJBXNDBJJLMD-UHFFFAOYSA-N
XLogP2.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6,8-dimethylquinolin-4-amine
CID 62201635
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine
CID 141112690
5-tert-butyl-6-methylpyrimidin-4-amine
CID 165372312
5,6-ditert-butylpyrimidin-4-amine
CID 59120613
2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
CID 55045601
(2-tert-butyl-6,8-dimethylquinolin-4-yl)hydrazine
CID 62251885
(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine
CID 82448590
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543
2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
CID 103587333
6-tert-butyl-3-fluoro-2,4-dimethylpyridine
CID 126493101
4,6-ditert-butyl-2-methylpyrimidine;ethane
CID 144567554

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine (CID 177263002) is 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine is Cc1cc(C(C)(C)C)nc2c(N)ncnc12.
What is the InChIKey of 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is NLEJBXNDBJJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-7-5-8(12(2,3)4)16-10-9(7)14-6-15-11(10)13/h5-6H,1-4H3,(H2,13,14,15).
What are the key properties of 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine?
6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-methylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 177263002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).