3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione

C14H19N5O2 — CID 80664634

IUPAC3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(C)cc(NC)n2)c1=O
InChIInChI=1S/C14H19N5O2/c1-4-6-18-7-5-13(20)19(14(18)21)9-12-16-10(2)8-11(15-3)17-12/h5,7-8H,4,6,9H2,1-3H3,(H,15,16,17)
InChIKeyIDWOGLDBMJDGRK-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.61
Rot. Bonds5

About 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione

3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 80664634) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione
PubChem CID80664634
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nc(C)cc(NC)n2)c1=O
InChIInChI=1S/C14H19N5O2/c1-4-6-18-7-5-13(20)19(14(18)21)9-12-16-10(2)8-11(15-3)17-12/h5,7-8H,4,6,9H2,1-3H3,(H,15,16,17)
InChIKeyIDWOGLDBMJDGRK-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 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione (CID 80664634) is 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nc(C)cc(NC)n2)c1=O.
What is the InChIKey of 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is IDWOGLDBMJDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-6-18-7-5-13(20)19(14(18)21)9-12-16-10(2)8-11(15-3)17-12/h5,7-8H,4,6,9H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-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 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 80664634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).