5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one

C6H9FN4O — CID 137270119

IUPAC5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCF)nc[nH]c1=O
InChIInChI=1S/C6H9FN4O/c7-1-2-9-5-4(8)6(12)11-3-10-5/h3H,1-2,8H2,(H2,9,10,11,12)
InChIKeyRSXREAFRGJUPAG-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.27
Rot. Bonds3

About 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 137270119) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
PubChem CID137270119
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCF)nc[nH]c1=O
InChIInChI=1S/C6H9FN4O/c7-1-2-9-5-4(8)6(12)11-3-10-5/h3H,1-2,8H2,(H2,9,10,11,12)
InChIKeyRSXREAFRGJUPAG-UHFFFAOYSA-N
XLogP-0.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-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

4,5-Diaminohypoxanthine
CID 135436550
4(3H)-Pteridinone, 7,8-dihydro-
CID 135743866
pteridine-4,7(3H,8H)-dione
CID 135478033
5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
3,5,7,8-Tetrahydro-4,6-pteridinedione
CID 135703371
5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
pteridine-4,7(1H,8H)-dione, 5,6-dihydro-
CID 135755330
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one (CID 137270119) is 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one is Nc1c(NCCF)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is RSXREAFRGJUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c7-1-2-9-5-4(8)6(12)11-3-10-5/h3H,1-2,8H2,(H2,9,10,11,12).
What are the key properties of 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 172.16 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).