6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione

C11H20N4O3 — CID 113244340

IUPAC6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(C)(C)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,4-5-16)6-13-7-8(12)15(3)10(18)14-9(7)17/h13,16H,4-6,12H2,1-3H3,(H,14,17,18)
InChIKeyKJYNJFPNGYIUDE-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.52
Rot. Bonds5

About 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 113244340) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID113244340
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(C)(C)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,4-5-16)6-13-7-8(12)15(3)10(18)14-9(7)17/h13,16H,4-6,12H2,1-3H3,(H,14,17,18)
InChIKeyKJYNJFPNGYIUDE-UHFFFAOYSA-N
XLogP-0.52
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrimidine-2,4-dione
CID 113234750
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide
CID 104925721
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965
6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione
CID 55082346

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione (CID 113244340) is 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCC(C)(C)CCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is KJYNJFPNGYIUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,4-5-16)6-13-7-8(12)15(3)10(18)14-9(7)17/h13,16H,4-6,12H2,1-3H3,(H,14,17,18).
What are the key properties of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.52, 5 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-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 113244340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).