2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C12H15BrN4O2 — CID 59258869

IUPAC2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2CC(C)(C)O
InChIInChI=1S/C12H15BrN4O2/c1-6-7-4-8(13)10(18)17(5-12(2,3)19)9(7)16-11(14)15-6/h4,19H,5H2,1-3H3,(H2,14,15,16)
InChIKeyCIEIZIPIOFLZTR-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258869) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258869
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2CC(C)(C)O
InChIInChI=1S/C12H15BrN4O2/c1-6-7-4-8(13)10(18)17(5-12(2,3)19)9(7)16-11(14)15-6/h4,19H,5H2,1-3H3,(H2,14,15,16)
InChIKeyCIEIZIPIOFLZTR-UHFFFAOYSA-N
XLogP1.22
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
6-Bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258867
2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258905
2-amino-6-bromo-4-methyl-8-(tetrahydrofuran-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258940
2-Amino-6-bromo-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258947
2-amino-6-bromo-8-(trans-4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258949
2-Amino-6-bromo-8-(trans-4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258963
2-Amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258999
2-Amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59259006
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
6-Bromo-8-cyclopropyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16122942
6-Bromo-8-cyclopentyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16122944

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258869) is 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2CC(C)(C)O.
What is the InChIKey of 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CIEIZIPIOFLZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-6-7-4-8(13)10(18)17(5-12(2,3)19)9(7)16-11(14)15-6/h4,19H,5H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 327.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).