5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C20H29N7O — CID 138384300

IUPAC5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCN(c2cc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc(N)n2)CC1
InChIInChI=1S/C20H29N7O/c1-25-8-10-27(11-9-25)18-13-17(23-20(21)24-18)26-6-4-15(5-7-26)12-16-2-3-19(28)22-14-16/h2-3,13-15H,4-12H2,1H3,(H,22,28)(H2,21,23,24)
InChIKeyZUYMTYNIVYBTDZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.96
Rot. Bonds4

About 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138384300) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138384300
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCN(c2cc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc(N)n2)CC1
InChIInChI=1S/C20H29N7O/c1-25-8-10-27(11-9-25)18-13-17(23-20(21)24-18)26-6-4-15(5-7-26)12-16-2-3-19(28)22-14-16/h2-3,13-15H,4-12H2,1H3,(H,22,28)(H2,21,23,24)
InChIKeyZUYMTYNIVYBTDZ-UHFFFAOYSA-N
XLogP0.96
TPSA94.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 137343874
4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 138380855
1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
CID 25130234
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138379695
4-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56868687
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
4-[2-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]ethyl]piperidine-1-carboxamide
CID 91393247
5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138380020
4-[3-(3-methoxypropyl)piperidin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 72875128

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138384300) is 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one is CN1CCN(c2cc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc(N)n2)CC1.
What is the InChIKey of 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is ZUYMTYNIVYBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25-8-10-27(11-9-25)18-13-17(23-20(21)24-18)26-6-4-15(5-7-26)12-16-2-3-19(28)22-14-16/h2-3,13-15H,4-12H2,1H3,(H,22,28)(H2,21,23,24).
What are the key properties of 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 383.50 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138384300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).