2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one

C18H22N6O2 — CID 136948059

IUPAC2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H22N6O2/c19-18-20-15(9-16(25)21-18)23-5-7-24(8-6-23)17(26)12-22-10-13-3-1-2-4-14(13)11-22/h1-4,9H,5-8,10-12H2,(H3,19,20,21,25)
InChIKeyLKLQXRFTHRHQRY-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.02
Rot. Bonds3

About 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136948059) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136948059
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H22N6O2/c19-18-20-15(9-16(25)21-18)23-5-7-24(8-6-23)17(26)12-22-10-13-3-1-2-4-14(13)11-22/h1-4,9H,5-8,10-12H2,(H3,19,20,21,25)
InChIKeyLKLQXRFTHRHQRY-UHFFFAOYSA-N
XLogP0.02
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137048510
2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662158
2-amino-4-[4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662349
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 136663642
2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 137048553
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
2-amino-4-[4-[1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136663625

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136948059) is 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LKLQXRFTHRHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-18-20-15(9-16(25)21-18)23-5-7-24(8-6-23)17(26)12-22-10-13-3-1-2-4-14(13)11-22/h1-4,9H,5-8,10-12H2,(H3,19,20,21,25).
What are the key properties of 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 354.41 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136948059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).