2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one

C17H21N5O3 — CID 136662349

IUPAC2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOC(C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1)c1ccccc1
InChIInChI=1S/C17H21N5O3/c1-25-15(12-5-3-2-4-6-12)16(24)22-9-7-21(8-10-22)13-11-14(23)20-17(18)19-13/h2-6,11,15H,7-10H2,1H3,(H3,18,19,20,23)
InChIKeyWDHIEZDTWCGEQX-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136662349) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136662349
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOC(C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1)c1ccccc1
InChIInChI=1S/C17H21N5O3/c1-25-15(12-5-3-2-4-6-12)16(24)22-9-7-21(8-10-22)13-11-14(23)20-17(18)19-13/h2-6,11,15H,7-10H2,1H3,(H3,18,19,20,23)
InChIKeyWDHIEZDTWCGEQX-UHFFFAOYSA-N
XLogP0.39
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
2-amino-4-[4-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137125628
2-amino-4-[4-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137125629
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
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-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136662349) is 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is COC(C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WDHIEZDTWCGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-15(12-5-3-2-4-6-12)16(24)22-9-7-21(8-10-22)13-11-14(23)20-17(18)19-13/h2-6,11,15H,7-10H2,1H3,(H3,18,19,20,23).
What are the key properties of 2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 343.39 g/mol, XLogP of 0.39, 4 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-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).