2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H17BrN4O3 — CID 58448983

IUPAC2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)o3)ccn2)N=C1N
InChIInChI=1S/C17H17BrN4O3/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21)
InChIKeyVXUHRTUSRXFTDN-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448983) has the molecular formula C17H17BrN4O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448983
Molecular FormulaC17H17BrN4O3
Molecular Weight405.25 g/mol
Exact Mass404.05
IUPAC Name2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)o3)ccn2)N=C1N
InChIInChI=1S/C17H17BrN4O3/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21)
InChIKeyVXUHRTUSRXFTDN-UHFFFAOYSA-N
XLogP2.25
TPSA101.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448983) is 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)o3)ccn2)N=C1N.
What is the InChIKey of 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is VXUHRTUSRXFTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 405.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).