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

C10H17N5O — CID 82509558

IUPAC2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCNc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O/c1-11-10-13-6-8(9(16)14-10)7-15-4-2-12-3-5-15/h6,12H,2-5,7H2,1H3,(H2,11,13,14,16)
InChIKeyYIMAXDPPBYXDND-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.78
Rot. Bonds3

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

2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82509558) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82509558
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCNc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O/c1-11-10-13-6-8(9(16)14-10)7-15-4-2-12-3-5-15/h6,12H,2-5,7H2,1H3,(H2,11,13,14,16)
InChIKeyYIMAXDPPBYXDND-UHFFFAOYSA-N
XLogP-0.78
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
1-[(5,5-Dimethyl-4,6-dihydro-1h-pyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394415
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
2-[3-Aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
CID 118489722
2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one
CID 123861410
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
1,6-Dihydro-1-methyl-2-[(1-methylethyl)amino]-5-pyrimidinecarboxamide
CID 135727044
2-[(3R)-3-aminopiperidin-1-yl]-5-prop-1-ynyl-1H-pyrimidin-6-one
CID 141111980
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
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82509558) is 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is CNc1ncc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YIMAXDPPBYXDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-11-10-13-6-8(9(16)14-10)7-15-4-2-12-3-5-15/h6,12H,2-5,7H2,1H3,(H2,11,13,14,16).
What are the key properties of 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82509558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).