4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one

C9H15N5O — CID 135406383

IUPAC4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c1-6-12-8(10)7(9(15)13-6)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H3,10,12,13,15)
InChIKeyBMSARQMIZSIXLI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.93
Rot. Bonds1

About 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one

4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 135406383) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID135406383
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c1-6-12-8(10)7(9(15)13-6)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H3,10,12,13,15)
InChIKeyBMSARQMIZSIXLI-UHFFFAOYSA-N
XLogP-0.93
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol
CID 135489784
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135401754
5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422761
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135427646
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135454743
6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol
CID 135470069
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135489787
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135489788

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one (CID 135406383) is 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one is Cc1nc(N)c(N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is BMSARQMIZSIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-12-8(10)7(9(15)13-6)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H3,10,12,13,15).
What are the key properties of 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135406383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).