2-amino-5-propan-2-yl-1H-pyrimidin-6-one

C7H11N3O — CID 58507711

IUPAC2-amino-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyAVWYJUWHNDKLNK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.48
Rot. Bonds1

About 2-amino-5-propan-2-yl-1H-pyrimidin-6-one

2-amino-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 58507711) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID58507711
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-amino-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyAVWYJUWHNDKLNK-UHFFFAOYSA-N
XLogP0.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one (CID 58507711) is 2-amino-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AVWYJUWHNDKLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one?
2-amino-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 58507711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).