2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

C18H23N5O4 — CID 136665303

IUPAC2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C18H23N5O4/c1-12-4-2-3-5-14(12)27-11-13(24)17(26)23-8-6-22(7-9-23)15-10-16(25)21-18(19)20-15/h2-5,10,13,24H,6-9,11H2,1H3,(H3,19,20,21,25)
InChIKeyYYIMNGZHRGNXCN-UHFFFAOYSA-N
MW373.41 g/mol
LogP-0.25
Rot. Bonds5

About 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136665303) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136665303
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C18H23N5O4/c1-12-4-2-3-5-14(12)27-11-13(24)17(26)23-8-6-22(7-9-23)15-10-16(25)21-18(19)20-15/h2-5,10,13,24H,6-9,11H2,1H3,(H3,19,20,21,25)
InChIKeyYYIMNGZHRGNXCN-UHFFFAOYSA-N
XLogP-0.25
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131935960
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662349
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131910721
2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
8-[(2R)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 125165060
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
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95870119
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-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136665303) is 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is Cc1ccccc1OCC(O)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YYIMNGZHRGNXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12-4-2-3-5-14(12)27-11-13(24)17(26)23-8-6-22(7-9-23)15-10-16(25)21-18(19)20-15/h2-5,10,13,24H,6-9,11H2,1H3,(H3,19,20,21,25).
What are the key properties of 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 373.41 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136665303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).