N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H20N4O2 — CID 135876442

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20N4O2/c18-14-10-16(22)21-15(20-14)7-8-19-17(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,10,13H,5-9H2,(H,19,23)(H3,18,20,21,22)
InChIKeyBOVNYLGPBPOPST-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 135876442) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID135876442
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20N4O2/c18-14-10-16(22)21-15(20-14)7-8-19-17(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,10,13H,5-9H2,(H,19,23)(H3,18,20,21,22)
InChIKeyBOVNYLGPBPOPST-UHFFFAOYSA-N
XLogP0.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91790598
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
(3R)-2-ethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136756274
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 156586551
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72859704
N-[[2-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127819
(4S)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 136696860
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 135876442) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Nc1cc(=O)[nH]c(CCNC(=O)C2CCc3ccccc3C2)n1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BOVNYLGPBPOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-14-10-16(22)21-15(20-14)7-8-19-17(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,10,13H,5-9H2,(H,19,23)(H3,18,20,21,22).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 135876442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).