5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C9H15N5O — CID 28908148

IUPAC5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(N)c(=O)[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5,10H2,1H3,(H,11,12,15)
InChIKeyDINRZQBIPWYZEC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.90
Rot. Bonds1

About 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 28908148) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID28908148
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(N)c(=O)[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5,10H2,1H3,(H,11,12,15)
InChIKeyDINRZQBIPWYZEC-UHFFFAOYSA-N
XLogP-0.90
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135517723
4(1H)-Pyrimidinone, 5-(4-methyl-1-piperazinyl)-
CID 3073824
2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
n-(5-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)acetamide
CID 252084
7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 123267416
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
6-Methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
CID 135505922
5-fluoro-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124908401
5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136238482
2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135536917
2-(4-acetylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 101705350
4-methyl-N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperazine-1-carboximidamide
CID 135645035

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 28908148) is 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2ncc(N)c(=O)[nH]2)CC1.
What is the InChIKey of 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DINRZQBIPWYZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5,10H2,1H3,(H,11,12,15).
What are the key properties of 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 28908148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).