6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one

C15H17BrFN7O2 — CID 147249806

IUPAC6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one
SMILESNc1nc(N)c(C(=O)Cc2[nH]c(=O)ncc2N2CCC(F)CC2)nc1Br
InChIInChI=1S/C15H17BrFN7O2/c16-12-14(19)23-13(18)11(22-12)10(25)5-8-9(6-20-15(26)21-8)24-3-1-7(17)2-4-24/h6-7H,1-5H2,(H4,18,19,23)(H,20,21,26)
InChIKeyCMLQRBUNENHLNW-UHFFFAOYSA-N
MW426.25 g/mol
LogP0.85
Rot. Bonds4

About 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one

6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one (PubChem CID 147249806) has the molecular formula C15H17BrFN7O2 and a molecular weight of 426.25 g/mol. Its IUPAC name is 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one
PubChem CID147249806
Molecular FormulaC15H17BrFN7O2
Molecular Weight426.25 g/mol
Exact Mass425.06
IUPAC Name6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one
SMILESNc1nc(N)c(C(=O)Cc2[nH]c(=O)ncc2N2CCC(F)CC2)nc1Br
InChIInChI=1S/C15H17BrFN7O2/c16-12-14(19)23-13(18)11(22-12)10(25)5-8-9(6-20-15(26)21-8)24-3-1-7(17)2-4-24/h6-7H,1-5H2,(H4,18,19,23)(H,20,21,26)
InChIKeyCMLQRBUNENHLNW-UHFFFAOYSA-N
XLogP0.85
TPSA143.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethyl]-5-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-2-one
CID 158854244
5-(4-aminopiperidin-1-yl)-6-ethyl-1H-pyrimidin-2-one
CID 117211358
3-amino-6-bromo-N-[5-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-pyrimidin-6-yl]pyrazine-2-carboxamide
CID 88852481
3-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 67335941
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273
1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
CID 162256564
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114194642
6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one
CID 167782794
2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone
CID 147815467
5-bromo-3-(4-fluoropiperidin-1-yl)-2-methylpyridine
CID 158135526

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one (CID 147249806) is 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one is Nc1nc(N)c(C(=O)Cc2[nH]c(=O)ncc2N2CCC(F)CC2)nc1Br.
What is the InChIKey of 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one?
The InChIKey is CMLQRBUNENHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN7O2/c16-12-14(19)23-13(18)11(22-12)10(25)5-8-9(6-20-15(26)21-8)24-3-1-7(17)2-4-24/h6-7H,1-5H2,(H4,18,19,23)(H,20,21,26).
What are the key properties of 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one?
6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one has a molecular weight of 426.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-diamino-6-bromopyrazin-2-yl)-2-oxoethyl]-5-(4-fluoropiperidin-1-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 147249806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).