1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone

C7H10N4O — CID 159487487

IUPAC1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1nc(N)ncc1C(C)=O
InChIInChI=1S/C7H10N4O/c1-4(12)5-3-10-7(8)11-6(5)9-2/h3H,1-2H3,(H3,8,9,10,11)
InChIKeyHOKJEWKRWXBFMN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.30
Rot. Bonds2

About 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone

1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone (PubChem CID 159487487) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
PubChem CID159487487
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1nc(N)ncc1C(C)=O
InChIInChI=1S/C7H10N4O/c1-4(12)5-3-10-7(8)11-6(5)9-2/h3H,1-2H3,(H3,8,9,10,11)
InChIKeyHOKJEWKRWXBFMN-UHFFFAOYSA-N
XLogP0.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone (CID 159487487) is 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone is CNc1nc(N)ncc1C(C)=O.
What is the InChIKey of 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone?
The InChIKey is HOKJEWKRWXBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4(12)5-3-10-7(8)11-6(5)9-2/h3H,1-2H3,(H3,8,9,10,11).
What are the key properties of 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone?
1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 159487487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).