2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

C13H15BrN4O2 — CID 59258905

IUPAC2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C13H15BrN4O2/c1-6-9-5-10(14)12(20)18(7-2-3-8(19)4-7)11(9)17-13(15)16-6/h5,7-8,19H,2-4H2,1H3,(H2,15,16,17)/t7-,8+/m1/s1
InChIKeyNRJFRECSCHCYIL-SFYZADRCSA-N
MW339.19 g/mol
LogP1.53
Rot. Bonds1

About 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258905) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258905
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C13H15BrN4O2/c1-6-9-5-10(14)12(20)18(7-2-3-8(19)4-7)11(9)17-13(15)16-6/h5,7-8,19H,2-4H2,1H3,(H2,15,16,17)/t7-,8+/m1/s1
InChIKeyNRJFRECSCHCYIL-SFYZADRCSA-N
XLogP1.53
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258905) is 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NRJFRECSCHCYIL-SFYZADRCSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-6-9-5-10(14)12(20)18(7-2-3-8(19)4-7)11(9)17-13(15)16-6/h5,7-8,19H,2-4H2,1H3,(H2,15,16,17)/t7-,8+/m1/s1.
What are the key properties of 2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 339.19 g/mol, XLogP of 1.53, 1 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-[(1R,3S)-3-hydroxycyclopentyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).