5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione

C12H21N3O2 — CID 163966425

IUPAC5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(CN)CC(C)(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-11(2,7-13)6-12(3,4)8-5-14-10(17)15-9(8)16/h5H,6-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeySMEQDGSHGIFPRN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds4

About 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione

5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 163966425) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID163966425
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(CN)CC(C)(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-11(2,7-13)6-12(3,4)8-5-14-10(17)15-9(8)16/h5H,6-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeySMEQDGSHGIFPRN-UHFFFAOYSA-N
XLogP0.72
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione (CID 163966425) is 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione is CC(C)(CN)CC(C)(C)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SMEQDGSHGIFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,7-13)6-12(3,4)8-5-14-10(17)15-9(8)16/h5H,6-7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione?
5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163966425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).