5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one

C12H21N5O — CID 115114545

IUPAC5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
SMILESCN1CCN(CCn2cnc(=O)c(CN)c2)CC1
InChIInChI=1S/C12H21N5O/c1-15-2-4-16(5-3-15)6-7-17-9-11(8-13)12(18)14-10-17/h9-10H,2-8,13H2,1H3
InChIKeyIDXZPDYWCQYGBD-UHFFFAOYSA-N
MW251.33 g/mol
LogP-1.05
Rot. Bonds4

About 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one

5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 115114545) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
PubChem CID115114545
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
SMILESCN1CCN(CCn2cnc(=O)c(CN)c2)CC1
InChIInChI=1S/C12H21N5O/c1-15-2-4-16(5-3-15)6-7-17-9-11(8-13)12(18)14-10-17/h9-10H,2-8,13H2,1H3
InChIKeyIDXZPDYWCQYGBD-UHFFFAOYSA-N
XLogP-1.05
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2-amino-5-methyl-3-[(4-methyl-1-propan-2-ylpiperazin-2-yl)methyl]-1H-pyrimidin-3-ium-6-one
CID 169986060
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
CID 66489661
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507622
2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507832
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509438
2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509558
5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 82510715
2-(dimethylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82510907

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one (CID 115114545) is 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one is CN1CCN(CCn2cnc(=O)c(CN)c2)CC1.
What is the InChIKey of 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is IDXZPDYWCQYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-15-2-4-16(5-3-15)6-7-17-9-11(8-13)12(18)14-10-17/h9-10H,2-8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 115114545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).