2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C9H15N5O — CID 82507832

IUPAC2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-9-12-5-7(8(15)13-9)6-14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H3,10,12,13,15)
InChIKeySFQUXOLNZYGTRK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.24
Rot. Bonds2

About 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82507832) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82507832
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-9-12-5-7(8(15)13-9)6-14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H3,10,12,13,15)
InChIKeySFQUXOLNZYGTRK-UHFFFAOYSA-N
XLogP-1.24
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-8-oxo-1,2,3,4-tetrahydro-8H-pyrimido[1,2-a]pyrimidine
CID 596797
7-Methyl-6-oxo-1,2,3,4-tetrahydro(6H)pyrimido[1,2-a]pyrimidine
CID 596798
5-fluoro-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124908401
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
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395
2-amino-5-(diethylaminomethyl)-1H-pyrimidin-6-one
CID 73893757
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82507832) is 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is Nc1ncc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SFQUXOLNZYGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-9-12-5-7(8(15)13-9)6-14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H3,10,12,13,15).
What are the key properties of 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82507832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).