6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione

C10H17N3O2 — CID 43372265

IUPAC6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCC(C)CC(C)n1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-6(2)4-7(3)13-8(11)5-9(14)12-10(13)15/h5-7H,4,11H2,1-3H3,(H,12,14,15)
InChIKeyDKLVFAQWHGSSAW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.73
Rot. Bonds3

About 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione

6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione (PubChem CID 43372265) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione
PubChem CID43372265
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCC(C)CC(C)n1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-6(2)4-7(3)13-8(11)5-9(14)12-10(13)15/h5-7H,4,11H2,1-3H3,(H,12,14,15)
InChIKeyDKLVFAQWHGSSAW-UHFFFAOYSA-N
XLogP0.73
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione (CID 43372265) is 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione is CC(C)CC(C)n1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione?
The InChIKey is DKLVFAQWHGSSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)4-7(3)13-8(11)5-9(14)12-10(13)15/h5-7H,4,11H2,1-3H3,(H,12,14,15).
What are the key properties of 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione?
6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methylpentan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 43372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).