2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one

C6H8FN5O — CID 137123526

IUPAC2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one
SMILESC=C(F)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H8FN5O/c1-2(7)10-4-3(8)5(13)12-6(9)11-4/h1,8H2,(H4,9,10,11,12,13)
InChIKeyQRHJAHFQWWCFOX-UHFFFAOYSA-N
MW185.16 g/mol
LogP-0.21
Rot. Bonds2

About 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one

2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one (PubChem CID 137123526) has the molecular formula C6H8FN5O and a molecular weight of 185.16 g/mol. Its IUPAC name is 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one
PubChem CID137123526
Molecular FormulaC6H8FN5O
Molecular Weight185.16 g/mol
Exact Mass185.07
IUPAC Name2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one
SMILESC=C(F)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H8FN5O/c1-2(7)10-4-3(8)5(13)12-6(9)11-4/h1,8H2,(H4,9,10,11,12,13)
InChIKeyQRHJAHFQWWCFOX-UHFFFAOYSA-N
XLogP-0.21
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,5,6-Triamino-4(1H)-pyrimidinone
CID 135406869
2,5,6-Triamino-4-pyrimidinol hydrochloride
CID 135539464
2,5-Diaminopyrimidin-4(3H)-one
CID 14893038
2,5-Diamino-6-methylpyrimidin-4(1h)-one
CID 135491050
2,5-diamino-4-[1-fluoroethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 157802412
2,5-diamino-4-(ethenylamino)-1H-pyrimidin-6-one
CID 136449902
ethane;2,4,5-triamino-1H-pyrimidin-6-one
CID 143574107
2,4,5-triamino-1H-pyrimidin-3-ium-6-one
CID 163980800
molecular hydrogen;2,4,5-triamino-1H-pyrimidin-6-one
CID 174791524
sulfane;2,4,5-triamino-1H-pyrimidin-6-one
CID 174870530
sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one
CID 175302913
2,5-Diaminopyrimidin-4(3H)-one dihydrochloride
CID 133054025

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one (CID 137123526) is 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one is C=C(F)Nc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one?
The InChIKey is QRHJAHFQWWCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN5O/c1-2(7)10-4-3(8)5(13)12-6(9)11-4/h1,8H2,(H4,9,10,11,12,13).
What are the key properties of 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one has a molecular weight of 185.16 g/mol, XLogP of -0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(1-fluoroethenylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137123526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).