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

C10H17N5O — CID 83852442

IUPAC5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(CN)c(=O)[nH]2)CC1
InChIInChI=1S/C10H17N5O/c1-14-2-4-15(5-3-14)10-12-7-8(6-11)9(16)13-10/h7H,2-6,11H2,1H3,(H,12,13,16)
InChIKeyMTGYZBJVEOYEAY-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.02
Rot. Bonds2

About 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 83852442) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID83852442
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(CN)c(=O)[nH]2)CC1
InChIInChI=1S/C10H17N5O/c1-14-2-4-15(5-3-14)10-12-7-8(6-11)9(16)13-10/h7H,2-6,11H2,1H3,(H,12,13,16)
InChIKeyMTGYZBJVEOYEAY-UHFFFAOYSA-N
XLogP-1.02
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
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-(4-Methylpiperazinomethyl)uracil
CID 15031088
1,4-Bis(3,5-dimethyl-4-oxo-3,4-dihydropyrimidinyl-2)piperazine
CID 596768
5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
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-amino-5-methyl-3-[(4-methyl-1-propan-2-ylpiperazin-2-yl)methyl]-1H-pyrimidin-3-ium-6-one
CID 169986060
5-(Aminomethyl)-2-(dimethylamino)-4(3H)-pyrimidinone
CID 33741937
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
CID 66489661

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 83852442) is 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2ncc(CN)c(=O)[nH]2)CC1.
What is the InChIKey of 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MTGYZBJVEOYEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14-2-4-15(5-3-14)10-12-7-8(6-11)9(16)13-10/h7H,2-6,11H2,1H3,(H,12,13,16).
What are the key properties of 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 83852442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).