1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione

C9H15N3O2 — CID 134419507

IUPAC1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
SMILESCC(C)(C)Cc1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)4-6-5-12(10)8(14)11-7(6)13/h5H,4,10H2,1-3H3,(H,11,13,14)
InChIKeyYRFPGFCNXOQDHV-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.16
Rot. Bonds1

About 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione

1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione (PubChem CID 134419507) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
PubChem CID134419507
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
SMILESCC(C)(C)Cc1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)4-6-5-12(10)8(14)11-7(6)13/h5H,4,10H2,1-3H3,(H,11,13,14)
InChIKeyYRFPGFCNXOQDHV-UHFFFAOYSA-N
XLogP-0.16
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methylpropyl)pyrimidine-2,4(1h,3h)-dione
CID 289071
Allylaethyl-Aminouracil
CID 129641641
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 20540634
5-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-dione
CID 58911972
1-Amino-5-ethylpyrimidine-2,4-dione
CID 118338064
1-Amino-5-propan-2-ylpyrimidine-2,4-dione
CID 129133639
1-Amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione
CID 129144118
1-Amino-5-tert-butylpyrimidine-2,4-dione
CID 129144119
1-Amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione
CID 129144583
1-Amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
CID 139423492
5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
CID 146633143
1-Methyl-5-(2-methylpropyl)pyrimidine-2,4-dione
CID 163465224

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione (CID 134419507) is 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione is CC(C)(C)Cc1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione?
The InChIKey is YRFPGFCNXOQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)4-6-5-12(10)8(14)11-7(6)13/h5H,4,10H2,1-3H3,(H,11,13,14).
What are the key properties of 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione?
1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134419507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).