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

C9H15N5O — CID 135897837

IUPAC2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)7-6-8(15)12-9(10)11-7/h6H,2-5H2,1H3,(H3,10,11,12,15)
InChIKeyQLCJOXZPNHPFTJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.90
Rot. Bonds1

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

2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135897837) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135897837
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)7-6-8(15)12-9(10)11-7/h6H,2-5H2,1H3,(H3,10,11,12,15)
InChIKeyQLCJOXZPNHPFTJ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135897837) is 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QLCJOXZPNHPFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)7-6-8(15)12-9(10)11-7/h6H,2-5H2,1H3,(H3,10,11,12,15).
What are the key properties of 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-amino-4-(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 2-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135897837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).