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

C12H22N4O3 — CID 62333545

IUPAC6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(C)CC(C)O)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14(3)7-8(2)17)11(18)15(4)12(16)19/h8,17H,5-7,13H2,1-4H3
InChIKeyLTLJLYDEORJXPD-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.64
Rot. Bonds5

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

6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 62333545) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID62333545
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(C)CC(C)O)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14(3)7-8(2)17)11(18)15(4)12(16)19/h8,17H,5-7,13H2,1-4H3
InChIKeyLTLJLYDEORJXPD-UHFFFAOYSA-N
XLogP-0.64
TPSA93.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 62333545) is 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N(C)CC(C)O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is LTLJLYDEORJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14(3)7-8(2)17)11(18)15(4)12(16)19/h8,17H,5-7,13H2,1-4H3.
What are the key properties of 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 62333545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).