1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione

C12H14FN5O2 — CID 80654751

IUPAC1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H14FN5O2/c1-3-14-9-4-7(2)15-10(16-9)6-18-5-8(13)11(19)17-12(18)20/h4-5H,3,6H2,1-2H3,(H,14,15,16)(H,17,19,20)
InChIKeyRWLURNZXPPEDJY-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.25
Rot. Bonds4

About 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione

1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 80654751) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID80654751
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H14FN5O2/c1-3-14-9-4-7(2)15-10(16-9)6-18-5-8(13)11(19)17-12(18)20/h4-5H,3,6H2,1-2H3,(H,14,15,16)(H,17,19,20)
InChIKeyRWLURNZXPPEDJY-UHFFFAOYSA-N
XLogP0.25
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 80654751) is 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione is CCNc1cc(C)nc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is RWLURNZXPPEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-3-14-9-4-7(2)15-10(16-9)6-18-5-8(13)11(19)17-12(18)20/h4-5H,3,6H2,1-2H3,(H,14,15,16)(H,17,19,20).
What are the key properties of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 279.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 80654751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).