4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one

C10H15N5O — CID 80844331

IUPAC4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCc1cnc(N)nc1N1CCN(C)C(=O)C1
InChIInChI=1S/C10H15N5O/c1-7-5-12-10(11)13-9(7)15-4-3-14(2)8(16)6-15/h5H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyIMMYPKFHDFEYKC-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.35
Rot. Bonds1

About 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one

4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one (PubChem CID 80844331) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
PubChem CID80844331
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCc1cnc(N)nc1N1CCN(C)C(=O)C1
InChIInChI=1S/C10H15N5O/c1-7-5-12-10(11)13-9(7)15-4-3-14(2)8(16)6-15/h5H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyIMMYPKFHDFEYKC-UHFFFAOYSA-N
XLogP-0.35
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one (CID 80844331) is 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one is Cc1cnc(N)nc1N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is IMMYPKFHDFEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-5-12-10(11)13-9(7)15-4-3-14(2)8(16)6-15/h5H,3-4,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one?
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 80844331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).