2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

C18H21N5O2 — CID 136988385

IUPAC2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c19-18-20-15(11-16(24)21-18)22-6-8-23(9-7-22)17(25)14-10-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H3,19,20,21,24)/t13-,14+/m0/s1
InChIKeyUCRGUJSMOUFAPF-UONOGXRCSA-N
MW339.40 g/mol
LogP0.80
Rot. Bonds3

About 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136988385) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136988385
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c19-18-20-15(11-16(24)21-18)22-6-8-23(9-7-22)17(25)14-10-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H3,19,20,21,24)/t13-,14+/m0/s1
InChIKeyUCRGUJSMOUFAPF-UONOGXRCSA-N
XLogP0.80
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662349
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136776183
2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one
CID 137119203
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51896830
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896827
2-amino-4-[4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136988385) is 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UCRGUJSMOUFAPF-UONOGXRCSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-18-20-15(11-16(24)21-18)22-6-8-23(9-7-22)17(25)14-10-13(14)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H3,19,20,21,24)/t13-,14+/m0/s1.
What are the key properties of 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 339.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136988385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).