N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide

C19H20N4O3 — CID 137214432

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)CC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C19H20N4O3/c20-16-12-19(25)23-17(22-16)8-9-21-18(24)11-14(15-7-4-10-26-15)13-5-2-1-3-6-13/h1-7,10,12,14H,8-9,11H2,(H,21,24)(H3,20,22,23,25)
InChIKeyROLGSOLHPMHWLR-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.83
Rot. Bonds7

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide (PubChem CID 137214432) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
PubChem CID137214432
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)CC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C19H20N4O3/c20-16-12-19(25)23-17(22-16)8-9-21-18(24)11-14(15-7-4-10-26-15)13-5-2-1-3-6-13/h1-7,10,12,14H,8-9,11H2,(H,21,24)(H3,20,22,23,25)
InChIKeyROLGSOLHPMHWLR-UHFFFAOYSA-N
XLogP1.83
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97275845
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide
CID 135625140
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
CID 91776883
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 136662246
3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
CID 91768167
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 135876442
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 72848588
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 137214437

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide (CID 137214432) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide is Nc1cc(=O)[nH]c(CCNC(=O)CC(c2ccccc2)c2ccco2)n1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide?
The InChIKey is ROLGSOLHPMHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-16-12-19(25)23-17(22-16)8-9-21-18(24)11-14(15-7-4-10-26-15)13-5-2-1-3-6-13/h1-7,10,12,14H,8-9,11H2,(H,21,24)(H3,20,22,23,25).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide has a molecular weight of 352.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 137214432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).