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

C11H19N5O — CID 115114546

IUPAC5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
SMILESCN1CCN(CCn2cnc(=O)c(N)c2)CC1
InChIInChI=1S/C11H19N5O/c1-14-2-4-15(5-3-14)6-7-16-8-10(12)11(17)13-9-16/h8-9H,2-7,12H2,1H3
InChIKeyBIWWCXTXHDNXRA-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.93
Rot. Bonds3

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

5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 115114546) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
PubChem CID115114546
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
SMILESCN1CCN(CCn2cnc(=O)c(N)c2)CC1
InChIInChI=1S/C11H19N5O/c1-14-2-4-15(5-3-14)6-7-16-8-10(12)11(17)13-9-16/h8-9H,2-7,12H2,1H3
InChIKeyBIWWCXTXHDNXRA-UHFFFAOYSA-N
XLogP-0.93
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4(1H)-Pyrimidinone, 5-(4-methyl-1-piperazinyl)-
CID 3073824
2-amino-5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 18432582
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
5-Amino-3-propylpyrimidin-4-one
CID 138585614
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 138585701
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 138585702
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
CID 138601214
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 141659432
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
CID 145427253
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 162725266
5-Amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one
CID 174336195

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one (CID 115114546) is 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one is CN1CCN(CCn2cnc(=O)c(N)c2)CC1.
What is the InChIKey of 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is BIWWCXTXHDNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-14-2-4-15(5-3-14)6-7-16-8-10(12)11(17)13-9-16/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one?
5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 237.31 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 115114546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).