1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione

C14H19N5O2 — CID 80664411

IUPAC1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCNc1cc(C)nc(Cn2c(=O)ccn(CC)c2=O)n1
InChIInChI=1S/C14H19N5O2/c1-4-15-11-8-10(3)16-12(17-11)9-19-13(20)6-7-18(5-2)14(19)21/h6-8H,4-5,9H2,1-3H3,(H,15,16,17)
InChIKeyLJDRTFUOGBRETR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.61
Rot. Bonds5

About 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione

1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80664411) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80664411
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCNc1cc(C)nc(Cn2c(=O)ccn(CC)c2=O)n1
InChIInChI=1S/C14H19N5O2/c1-4-15-11-8-10(3)16-12(17-11)9-19-13(20)6-7-18(5-2)14(19)21/h6-8H,4-5,9H2,1-3H3,(H,15,16,17)
InChIKeyLJDRTFUOGBRETR-UHFFFAOYSA-N
XLogP0.61
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione (CID 80664411) is 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione is CCNc1cc(C)nc(Cn2c(=O)ccn(CC)c2=O)n1.
What is the InChIKey of 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is LJDRTFUOGBRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-15-11-8-10(3)16-12(17-11)9-19-13(20)6-7-18(5-2)14(19)21/h6-8H,4-5,9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione?
1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80664411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).