6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

C14H26N4O3 — CID 65047999

IUPAC6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(COC)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-6-7-18-12(15)11(13(19)17(4)14(18)20)16-10(8-21-5)9(2)3/h9-10,16H,6-8,15H2,1-5H3
InChIKeyAWJSSSUEMGJLDP-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.62
Rot. Bonds7

About 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 65047999) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID65047999
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(COC)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-6-7-18-12(15)11(13(19)17(4)14(18)20)16-10(8-21-5)9(2)3/h9-10,16H,6-8,15H2,1-5H3
InChIKeyAWJSSSUEMGJLDP-UHFFFAOYSA-N
XLogP0.62
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 65047999) is 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(COC)C(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is AWJSSSUEMGJLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-6-7-18-12(15)11(13(19)17(4)14(18)20)16-10(8-21-5)9(2)3/h9-10,16H,6-8,15H2,1-5H3.
What are the key properties of 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 65047999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).