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

C15H19BrN4O2 — CID 59258949

IUPAC2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)c(Br)cc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C15H19BrN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyXMWHQYYATKFHEV-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.57
Rot. Bonds2

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

2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258949) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258949
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)c(Br)cc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C15H19BrN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyXMWHQYYATKFHEV-UHFFFAOYSA-N
XLogP2.57
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258949) is 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COC1CCC(n2c(=O)c(Br)cc3c(C)nc(N)nc32)CC1.
What is the InChIKey of 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XMWHQYYATKFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 367.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).