2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one

C8H14N4O2 — CID 130611731

IUPAC2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
SMILESCC(CO)Nc1cc(=O)n(C)c(N)n1
InChIInChI=1S/C8H14N4O2/c1-5(4-13)10-6-3-7(14)12(2)8(9)11-6/h3,5,10,13H,4H2,1-2H3,(H2,9,11)
InChIKeyZPWDGTNWTLENRZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.84
Rot. Bonds3

About 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one

2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one (PubChem CID 130611731) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
PubChem CID130611731
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
SMILESCC(CO)Nc1cc(=O)n(C)c(N)n1
InChIInChI=1S/C8H14N4O2/c1-5(4-13)10-6-3-7(14)12(2)8(9)11-6/h3,5,10,13H,4H2,1-2H3,(H2,9,11)
InChIKeyZPWDGTNWTLENRZ-UHFFFAOYSA-N
XLogP-0.84
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one (CID 130611731) is 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one is CC(CO)Nc1cc(=O)n(C)c(N)n1.
What is the InChIKey of 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one?
The InChIKey is ZPWDGTNWTLENRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(4-13)10-6-3-7(14)12(2)8(9)11-6/h3,5,10,13H,4H2,1-2H3,(H2,9,11).
What are the key properties of 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one?
2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one has a molecular weight of 198.23 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 130611731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).