2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one

C8H14N4O2 — CID 118188168

IUPAC2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-4(2)3-14-7-5(9)6(13)11-8(10)12-7/h4H,3,9H2,1-2H3,(H3,10,11,12,13)
InChIKeyGPINNJQZFLPHGF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.03
Rot. Bonds3

About 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one

2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 118188168) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID118188168
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-4(2)3-14-7-5(9)6(13)11-8(10)12-7/h4H,3,9H2,1-2H3,(H3,10,11,12,13)
InChIKeyGPINNJQZFLPHGF-UHFFFAOYSA-N
XLogP-0.03
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one (CID 118188168) is 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one is CC(C)COc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is GPINNJQZFLPHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(2)3-14-7-5(9)6(13)11-8(10)12-7/h4H,3,9H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 118188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).