6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione

C12H22N4O3 — CID 66108166

IUPAC6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-5-16-10(13)9(11(18)15-12(16)19)14-7-8(2)4-6-17/h8,14,17H,3-7,13H2,1-2H3,(H,15,18,19)
InChIKeyXJTMORXAIONIPT-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.04
Rot. Bonds7

About 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione (PubChem CID 66108166) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
PubChem CID66108166
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-5-16-10(13)9(11(18)15-12(16)19)14-7-8(2)4-6-17/h8,14,17H,3-7,13H2,1-2H3,(H,15,18,19)
InChIKeyXJTMORXAIONIPT-UHFFFAOYSA-N
XLogP-0.04
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione (CID 66108166) is 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(C)CCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione?
The InChIKey is XJTMORXAIONIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-5-16-10(13)9(11(18)15-12(16)19)14-7-8(2)4-6-17/h8,14,17H,3-7,13H2,1-2H3,(H,15,18,19).
What are the key properties of 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 66108166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).