2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea

C8H12FN5O — CID 103703254

IUPAC2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1ncnc(NCCNC(N)=O)c1F
InChIInChI=1S/C8H12FN5O/c1-5-6(9)7(14-4-13-5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H,11,13,14)
InChIKeyJPHPQMXOFPVUCY-UHFFFAOYSA-N
MW213.22 g/mol
LogP0.00
Rot. Bonds4

About 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea

2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea (PubChem CID 103703254) has the molecular formula C8H12FN5O and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea
PubChem CID103703254
Molecular FormulaC8H12FN5O
Molecular Weight213.22 g/mol
Exact Mass213.10
IUPAC Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea
SMILESCc1ncnc(NCCNC(N)=O)c1F
InChIInChI=1S/C8H12FN5O/c1-5-6(9)7(14-4-13-5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H,11,13,14)
InChIKeyJPHPQMXOFPVUCY-UHFFFAOYSA-N
XLogP0.00
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-5-fluoro-6-methylpyrimidine-2,4-diamine
CID 135271009
4-methyl-5H-pteridin-6-one
CID 595562
N4,6-Dimethyl-4,5-pyrimidinediamine
CID 12212194
N5,6-dimethylpyrimidine-4,5-diamine
CID 45080466
Pteridine, 7,8-dihydro-4,6-dimethyl-
CID 23422324
Pteridine, 5-formyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422330
Pteridine, 5-acetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422332
Pyrimidine, 4-amino-6-methyl-5-methylformamido-
CID 145618706
Pteridine, 8-ethyl-2-ethylamino-7,8-dihydro-4-methyl-7-oxo-
CID 171384108
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
CID 59777243

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea (CID 103703254) is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea is Cc1ncnc(NCCNC(N)=O)c1F.
What is the InChIKey of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea?
The InChIKey is JPHPQMXOFPVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5O/c1-5-6(9)7(14-4-13-5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H,11,13,14).
What are the key properties of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea?
2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea has a molecular weight of 213.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 103703254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).